2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine

C17H33NO — CID 79923870

IUPAC2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO/c1-15(2)14-18-11-6-7-16-8-12-19-17(13-16)9-4-3-5-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeyJGHDHGFIPNKVIR-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine

2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine (PubChem CID 79923870) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
PubChem CID79923870
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO/c1-15(2)14-18-11-6-7-16-8-12-19-17(13-16)9-4-3-5-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeyJGHDHGFIPNKVIR-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
CID 79914967
9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
CID 79922733
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79924099
N-ethyl-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79923385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine (CID 79923870) is 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine is CC(C)CNCCCC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine?
The InChIKey is JGHDHGFIPNKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-15(2)14-18-11-6-7-16-8-12-19-17(13-16)9-4-3-5-10-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine?
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 79923870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).