1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine

C69H138N12O13 — CID 160750552

About 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine

1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine (PubChem CID 160750552) has the molecular formula C69H138N12O13 and a molecular weight of 1343.93 g/mol. Its IUPAC name is 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

• Compound Name: 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine
• PubChem CID: 160750552
• Molecular Formula: C69H138N12O13
• Molecular Weight: 1343.93 g/mol
• Exact Mass: 1343.05
• IUPAC Name: 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine
• SMILES: NC1CCC2(CC1)CO2.NC1CCC2(CC1)CO2.NC1[C@H]2CCO[C@@H]12.NC1[C@H]2COC[C@@H]12.NCC1CCOCC1.NCC1COCCO1.NCC1[C@H]2CCO[C@@H]12.NCC1[C@H]2COC[C@@H]12.NC[C@@H]1CCCCO1.NC[C@@H]1CCCO1.NC[C@H]1CCCCO1.NC[C@H]1CCCO1
• InChI: InChI=1S/2C7H13NO.2C6H11NO.3C6H13NO.C5H11NO2.2C5H9NO.2C5H11NO/c2*8-6-1-3-7(4-2-6)5-9-7;7-1-4-5-2-8-3-6(4)5;7-3-5-4-1-2-8-6(4)5;7-5-6-1-3-8-4-2-6;2*7-5-6-3-1-2-4-8-6;6-3-5-4-7-1-2-8-5;6-5-3-1-7-2-4(3)5;6-4-3-1-2-7-5(3)4;2*6-4-5-2-1-3-7-5/h2*6H,1-5,8H2;2*4-6H,1-3,7H2;3*6H,1-5,7H2;5H,1-4,6H2;2*3-5H,1-2,6H2;2*5H,1-4,6H2/t;;4?,5-,6+;4-,5?,6-;;2*6-;;3-,4+,5?;3-,4?,5-;2*5-/m...1.10..110/s1
• InChIKey: RWTKOHRWHQTIBA-TXEJLXHTSA-N
• XLogP: 1.46
• TPSA: 438.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.93
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine?

The IUPAC name of 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine (CID 160750552) is 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine.

What is the SMILES notation for 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine?

The canonical SMILES for 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine is NC1CCC2(CC1)CO2.NC1CCC2(CC1)CO2.NC1[C@H]2CCO[C@@H]12.NC1[C@H]2COC[C@@H]12.NCC1CCOCC1.NCC1COCCO1.NCC1[C@H]2CCO[C@@H]12.NCC1[C@H]2COC[C@@H]12.NC[C@@H]1CCCCO1.NC[C@@H]1CCCO1.NC[C@H]1CCCCO1.NC[C@H]1CCCO1.

What is the InChIKey of 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine?

The InChIKey is RWTKOHRWHQTIBA-TXEJLXHTSA-N. The full InChI is InChI=1S/2C7H13NO.2C6H11NO.3C6H13NO.C5H11NO2.2C5H9NO.2C5H11NO/c2*8-6-1-3-7(4-2-6)5-9-7;7-1-4-5-2-8-3-6(4)5;7-3-5-4-1-2-8-6(4)5;7-5-6-1-3-8-4-2-6;2*7-5-6-3-1-2-4-8-6;6-3-5-4-7-1-2-8-5;6-5-3-1-7-2-4(3)5;6-4-3-1-2-7-5(3)4;2*6-4-5-2-1-3-7-5/h2*6H,1-5,8H2;2*4-6H,1-3,7H2;3*6H,1-5,7H2;5H,1-4,6H2;2*3-5H,1-2,6H2;2*5H,1-4,6H2/t;;4?,5-,6+;4-,5?,6-;;2*6-;;3-,4+,5?;3-,4?,5-;2*5-/m...1.10..110/s1.

What are the key properties of 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine?

1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine has a molecular weight of 1343.93 g/mol, XLogP of 1.46, 8 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 160750552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).