4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine

C14H23N3O — CID 55139785

IUPAC4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN2CCCOCC2)ccn1
InChIInChI=1S/C14H23N3O/c1-2-5-15-14-11-13(4-6-16-14)12-17-7-3-9-18-10-8-17/h4,6,11H,2-3,5,7-10,12H2,1H3,(H,15,16)
InChIKeyHHXQIKVIJQRUDZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds5

About 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine

4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine (PubChem CID 55139785) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
PubChem CID55139785
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN2CCCOCC2)ccn1
InChIInChI=1S/C14H23N3O/c1-2-5-15-14-11-13(4-6-16-14)12-17-7-3-9-18-10-8-17/h4,6,11H,2-3,5,7-10,12H2,1H3,(H,15,16)
InChIKeyHHXQIKVIJQRUDZ-UHFFFAOYSA-N
XLogP2.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine 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

N-chloro-4-(morpholin-4-ylmethyl)pyridin-2-amine
CID 87380885
6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394968
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469641
1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
CID 64693745
2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
CID 82684948
1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 62471287
4-(1,4-oxazepan-4-ylmethyl)pyridine-2-carboxylic acid
CID 63884770
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
CID 83096353
5-(1,4-oxazepan-4-ylmethyl)-N-propyl-1,3-thiazol-2-amine
CID 79771866
4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62991783

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine (CID 55139785) is 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine is CCCNc1cc(CN2CCCOCC2)ccn1.
What is the InChIKey of 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
The InChIKey is HHXQIKVIJQRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-5-15-14-11-13(4-6-16-14)12-17-7-3-9-18-10-8-17/h4,6,11H,2-3,5,7-10,12H2,1H3,(H,15,16).
What are the key properties of 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine?
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 55139785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).