2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

C15H25N3 — CID 63626313

IUPAC2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC1CCCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C15H25N3/c1-14-5-4-10-18(11-7-14)12-9-16-13-15-6-2-3-8-17-15/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3
InChIKeyBLLSOGDLBPKZIP-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds5

About 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 63626313) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID63626313
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC1CCCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C15H25N3/c1-14-5-4-10-18(11-7-14)12-9-16-13-15-6-2-3-8-17-15/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3
InChIKeyBLLSOGDLBPKZIP-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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

2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 102728609
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62561399
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109014316
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 83221804
N-(pyridin-2-ylmethyl)-2-[2-[1-[2-(pyridin-2-ylmethylamino)ethyl]piperidin-3-yl]-4-pyridinyl]ethanamine
CID 172594287
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 63626313) is 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is CC1CCCN(CCNCc2ccccn2)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is BLLSOGDLBPKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14-5-4-10-18(11-7-14)12-9-16-13-15-6-2-3-8-17-15/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3.
What are the key properties of 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 63626313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).