4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol

C16H27N3O — CID 107408579

IUPAC4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
SMILESCCCNc1ncccc1CN1CCCC(C)(O)CC1
InChIInChI=1S/C16H27N3O/c1-3-9-17-15-14(6-4-10-18-15)13-19-11-5-7-16(2,20)8-12-19/h4,6,10,20H,3,5,7-9,11-13H2,1-2H3,(H,17,18)
InChIKeyUSJKCSSCQAGNNC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.64
Rot. Bonds5

About 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol

4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol (PubChem CID 107408579) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
PubChem CID107408579
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
SMILESCCCNc1ncccc1CN1CCCC(C)(O)CC1
InChIInChI=1S/C16H27N3O/c1-3-9-17-15-14(6-4-10-18-15)13-19-11-5-7-16(2,20)8-12-19/h4,6,10,20H,3,5,7-9,11-13H2,1-2H3,(H,17,18)
InChIKeyUSJKCSSCQAGNNC-UHFFFAOYSA-N
XLogP2.64
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
CID 107408556
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394997
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propylpyridin-2-amine
CID 63024773
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol?
The IUPAC name of 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol (CID 107408579) is 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol.
What is the SMILES notation for 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol?
The canonical SMILES for 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol is CCCNc1ncccc1CN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol?
The InChIKey is USJKCSSCQAGNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-15-14(6-4-10-18-15)13-19-11-5-7-16(2,20)8-12-19/h4,6,10,20H,3,5,7-9,11-13H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol?
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol is sourced from PubChem (CID 107408579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).