Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine

C9H20N2O — CID 165590722

IUPACN,N-dimethyl-2-(1,4-oxazepan-2-yl)ethanamine
SMILESCN(C)CCC1CNCCCO1
InChIInChI=1S/C9H20N2O/c1-11(2)6-4-9-8-10-5-3-7-12-9/h9-10H,3-8H2,1-2H3
InChIKeyXTVQLFFTMWZXPO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.20
Rot. Bonds3

About Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine

Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine (PubChem CID 165590722) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,4-oxazepan-2-yl)ethanamine.

Molecular Properties

Compound NameDimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine
PubChem CID165590722
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN,N-dimethyl-2-(1,4-oxazepan-2-yl)ethanamine
SMILESCN(C)CCC1CNCCCO1
InChIInChI=1S/C9H20N2O/c1-11(2)6-4-9-8-10-5-3-7-12-9/h9-10H,3-8H2,1-2H3
InChIKeyXTVQLFFTMWZXPO-UHFFFAOYSA-N
XLogP0.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity117

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]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

rac-(2R,7S)-2,7-dimethyl-1,4-oxazepane
CID 122164240
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
3-(2-Methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
(2S)-2-methyl-1,4-oxazepane
CID 28806954
2-Ethyl-1,4-oxazepane
CID 43498380
2-Methyl-1,4-oxazepane
CID 43498381
Dimethyl(2-(morpholin-2-yl)ethyl)amine
CID 66427711
2-(Propan-2-yl)-1,4-oxazepane
CID 82594498
7-Methyl-1,4-oxazepane hydrochloride
CID 122411502
(S)-7-Methyl-1,4-oxazepane hydrochloride
CID 164533127
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
7-Methyl-1,4-oxazepane
CID 68056775

Frequently Asked Questions

What is the IUPAC name of Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine?
The IUPAC name of Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine (CID 165590722) is N,N-dimethyl-2-(1,4-oxazepan-2-yl)ethanamine.
What is the SMILES notation for Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine?
The canonical SMILES for Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine is CN(C)CCC1CNCCCO1.
What is the InChIKey of Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine?
The InChIKey is XTVQLFFTMWZXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(2)6-4-9-8-10-5-3-7-12-9/h9-10H,3-8H2,1-2H3.
What are the key properties of Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine?
Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine has a molecular weight of 172.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine is sourced from PubChem (CID 165590722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).