1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine

C12H26N2 — CID 79467774

IUPAC1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
SMILESCCCC(C)N(C)C1CCCC(N)C1
InChIInChI=1S/C12H26N2/c1-4-6-10(2)14(3)12-8-5-7-11(13)9-12/h10-12H,4-9,13H2,1-3H3
InChIKeyIFOJBZSLABQCNH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds4

About 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine

1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine (PubChem CID 79467774) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
PubChem CID79467774
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
SMILESCCCC(C)N(C)C1CCCC(N)C1
InChIInChI=1S/C12H26N2/c1-4-6-10(2)14(3)12-8-5-7-11(13)9-12/h10-12H,4-9,13H2,1-3H3
InChIKeyIFOJBZSLABQCNH-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
CID 79467905
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467705
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
CID 79468427
1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
CID 79469660
1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
CID 79469037
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467961

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine (CID 79467774) is 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine is CCCC(C)N(C)C1CCCC(N)C1.
What is the InChIKey of 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine?
The InChIKey is IFOJBZSLABQCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-10(2)14(3)12-8-5-7-11(13)9-12/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine?
1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 79467774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).