1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine

C12H26N2 — CID 70316419

IUPAC1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
SMILESCCCC(C)NC1CCCCC1NC
InChIInChI=1S/C12H26N2/c1-4-7-10(2)14-12-9-6-5-8-11(12)13-3/h10-14H,4-9H2,1-3H3
InChIKeyCHKDMCSYEAQOOQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.30
Rot. Bonds5

About 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine

1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine (PubChem CID 70316419) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
PubChem CID70316419
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
SMILESCCCC(C)NC1CCCCC1NC
InChIInChI=1S/C12H26N2/c1-4-7-10(2)14-12-9-6-5-8-11(12)13-3/h10-14H,4-9H2,1-3H3
InChIKeyCHKDMCSYEAQOOQ-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
N-pentan-2-ylcyclooctanamine
CID 43079432
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 62267127
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
N-hexan-2-yl-2-methoxycyclohexan-1-amine
CID 62199829
N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 43195141

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine (CID 70316419) is 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine is CCCC(C)NC1CCCCC1NC.
What is the InChIKey of 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine?
The InChIKey is CHKDMCSYEAQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-10(2)14-12-9-6-5-8-11(12)13-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine?
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 70316419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).