2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine

C15H30N2O — CID 61431779

IUPAC2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
SMILESCN(CC1CCCCO1)C1CCCCCCC1N
InChIInChI=1S/C15H30N2O/c1-17(12-13-8-6-7-11-18-13)15-10-5-3-2-4-9-14(15)16/h13-15H,2-12,16H2,1H3
InChIKeyHGIJLRYZBFZDTN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.54
Rot. Bonds3

About 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine

2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine (PubChem CID 61431779) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
PubChem CID61431779
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
SMILESCN(CC1CCCCO1)C1CCCCCCC1N
InChIInChI=1S/C15H30N2O/c1-17(12-13-8-6-7-11-18-13)15-10-5-3-2-4-9-14(15)16/h13-15H,2-12,16H2,1H3
InChIKeyHGIJLRYZBFZDTN-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine 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

cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734490
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
N-methyl-N-(oxan-2-ylmethyl)oxetan-3-amine
CID 130605523
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 61436218
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine (CID 61431779) is 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine is CN(CC1CCCCO1)C1CCCCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine?
The InChIKey is HGIJLRYZBFZDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(12-13-8-6-7-11-18-13)15-10-5-3-2-4-9-14(15)16/h13-15H,2-12,16H2,1H3.
What are the key properties of 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine?
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 61431779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).