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

C12H26N2 — CID 43570969

IUPAC2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine
SMILESCCC(CC)N(C)C1CCCCC1N
InChIInChI=1S/C12H26N2/c1-4-10(5-2)14(3)12-9-7-6-8-11(12)13/h10-12H,4-9,13H2,1-3H3
InChIKeyUJIYJTJIILIQEZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds4

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

2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine (PubChem CID 43570969) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine
PubChem CID43570969
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine
SMILESCCC(CC)N(C)C1CCCCC1N
InChIInChI=1S/C12H26N2/c1-4-10(5-2)14(3)12-9-7-6-8-11(12)13/h10-12H,4-9,13H2,1-3H3
InChIKeyUJIYJTJIILIQEZ-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

2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
CID 80998114
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
CID 46941649
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62693591
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 55281587
2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
CID 43541047

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine (CID 43570969) is 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine is CCC(CC)N(C)C1CCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine?
The InChIKey is UJIYJTJIILIQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-10(5-2)14(3)12-9-7-6-8-11(12)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine?
2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-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 2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 43570969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).