(3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine

C39H94N14 — CID 162226340

About (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine

(3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine (PubChem CID 162226340) has the molecular formula C39H94N14 and a molecular weight of 759.28 g/mol. Its IUPAC name is (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine.

Molecular Properties

• Compound Name: (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine
• PubChem CID: 162226340
• Molecular Formula: C39H94N14
• Molecular Weight: 759.28 g/mol
• Exact Mass: 758.78
• IUPAC Name: (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine
• SMILES: CNCC[C@@H](C)N.NCC[C@@H]1CCCN1.NCC[C@H]1CCCN1.NC[C@@H]1CCCCN1.NC[C@@H]1CCCN1.NC[C@H]1CCCCN1.NC[C@H]1CCCN1
• InChI: InChI=1S/4C6H14N2.2C5H12N2.C5H14N2/c2*7-4-3-6-2-1-5-8-6;2*7-5-6-3-1-2-4-8-6;2*6-4-5-2-1-3-7-5;1-5(6)3-4-7-2/h4*6,8H,1-5,7H2;2*5,7H,1-4,6H2;5,7H,3-4,6H2,1-2H3/t4*6-;3*5-/m1010101/s1
• InChIKey: ZUUVHERJMUZVIG-LPOADBNHSA-N
• XLogP: -0.31
• TPSA: 266.35 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.28
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine?

The IUPAC name of (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine (CID 162226340) is (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine.

What is the SMILES notation for (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine?

The canonical SMILES for (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine is CNCC[C@@H](C)N.NCC[C@@H]1CCCN1.NCC[C@H]1CCCN1.NC[C@@H]1CCCCN1.NC[C@@H]1CCCN1.NC[C@H]1CCCCN1.NC[C@H]1CCCN1.

What is the InChIKey of (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine?

The InChIKey is ZUUVHERJMUZVIG-LPOADBNHSA-N. The full InChI is InChI=1S/4C6H14N2.2C5H12N2.C5H14N2/c2*7-4-3-6-2-1-5-8-6;2*7-5-6-3-1-2-4-8-6;2*6-4-5-2-1-3-7-5;1-5(6)3-4-7-2/h4*6,8H,1-5,7H2;2*5,7H,1-4,6H2;5,7H,3-4,6H2,1-2H3/t4*6-;3*5-/m1010101/s1.

What are the key properties of (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine?

(3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine has a molecular weight of 759.28 g/mol, XLogP of -0.31, 11 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 162226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).