2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

C15H25N3 — CID 80708858

IUPAC2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCN2CCCCCC2)nc1
InChIInChI=1S/C15H25N3/c1-14-6-7-15(17-12-14)13-16-8-11-18-9-4-2-3-5-10-18/h6-7,12,16H,2-5,8-11,13H2,1H3
InChIKeyWZOJQNBDPNMKTD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.36
Rot. Bonds5

About 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 80708858) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID80708858
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCN2CCCCCC2)nc1
InChIInChI=1S/C15H25N3/c1-14-6-7-15(17-12-14)13-16-8-11-18-9-4-2-3-5-10-18/h6-7,12,16H,2-5,8-11,13H2,1H3
InChIKeyWZOJQNBDPNMKTD-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112700188
2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79789474
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (CID 80708858) is 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is Cc1ccc(CNCCN2CCCCCC2)nc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is WZOJQNBDPNMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14-6-7-15(17-12-14)13-16-8-11-18-9-4-2-3-5-10-18/h6-7,12,16H,2-5,8-11,13H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.36, 5 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-[(5-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80708858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).