3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine

C9H20N2O — CID 62987056

IUPAC3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
SMILESCC1CN(CCCN)CCCO1
InChIInChI=1S/C9H20N2O/c1-9-8-11(5-2-4-10)6-3-7-12-9/h9H,2-8,10H2,1H3
InChIKeyYKELQXIWZFQQQS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds3

About 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine

3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine (PubChem CID 62987056) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
PubChem CID62987056
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
SMILESCC1CN(CCCN)CCCO1
InChIInChI=1S/C9H20N2O/c1-9-8-11(5-2-4-10)6-3-7-12-9/h9H,2-8,10H2,1H3
InChIKeyYKELQXIWZFQQQS-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-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

4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
3-(aminomethyl)-6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-ol
CID 106811332
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 76979643
[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
CID 81170479
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile
CID 94906828
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 63070656
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine
CID 64680158

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
The IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine (CID 62987056) is 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine is CC1CN(CCCN)CCCO1.
What is the InChIKey of 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
The InChIKey is YKELQXIWZFQQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9-8-11(5-2-4-10)6-3-7-12-9/h9H,2-8,10H2,1H3.
What are the key properties of 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine?
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine is sourced from PubChem (CID 62987056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).