2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine

C17H29N3 — CID 79050659

IUPAC2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCNC(c1ccc(C)nc1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H29N3/c1-14-9-10-15(13-19-14)16(18-4)17(2,3)20-11-7-5-6-8-12-20/h9-10,13,16,18H,5-8,11-12H2,1-4H3
InChIKeyPCZSBIIQSBKCGI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.31
Rot. Bonds4

About 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine

2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine (PubChem CID 79050659) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
PubChem CID79050659
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCNC(c1ccc(C)nc1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H29N3/c1-14-9-10-15(13-19-14)16(18-4)17(2,3)20-11-7-5-6-8-12-20/h9-10,13,16,18H,5-8,11-12H2,1-4H3
InChIKeyPCZSBIIQSBKCGI-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine (CID 79050659) is 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine is CNC(c1ccc(C)nc1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is PCZSBIIQSBKCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-9-10-15(13-19-14)16(18-4)17(2,3)20-11-7-5-6-8-12-20/h9-10,13,16,18H,5-8,11-12H2,1-4H3.
What are the key properties of 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 79050659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).