4-ethyl-3-N-methylcyclohexane-1,3-diamine

C9H20N2 — CID 168995405

IUPAC4-ethyl-3-N-methylcyclohexane-1,3-diamine
SMILESCCC1CCC(N)CC1NC
InChIInChI=1S/C9H20N2/c1-3-7-4-5-8(10)6-9(7)11-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyLSMKSHFJBRZVHU-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.11
Rot. Bonds2

About 4-ethyl-3-N-methylcyclohexane-1,3-diamine

4-ethyl-3-N-methylcyclohexane-1,3-diamine (PubChem CID 168995405) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-ethyl-3-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name4-ethyl-3-N-methylcyclohexane-1,3-diamine
PubChem CID168995405
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-ethyl-3-N-methylcyclohexane-1,3-diamine
SMILESCCC1CCC(N)CC1NC
InChIInChI=1S/C9H20N2/c1-3-7-4-5-8(10)6-9(7)11-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyLSMKSHFJBRZVHU-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol
CID 126641418
3-N-(3-ethyl-2-methylcyclopentyl)cyclopentane-1,3-diamine
CID 79462176
1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride
CID 175155289
3,4-diethyl-N-methylcyclohexan-1-amine
CID 165498630
1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine
CID 80559999
4-propylcyclohexane-1,3-diamine
CID 175197962
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine
CID 23352223
2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
CID 71071435
2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine
CID 91421365
trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
CID 89035848

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 4-ethyl-3-N-methylcyclohexane-1,3-diamine (CID 168995405) is 4-ethyl-3-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 4-ethyl-3-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 4-ethyl-3-N-methylcyclohexane-1,3-diamine is CCC1CCC(N)CC1NC.
What is the InChIKey of 4-ethyl-3-N-methylcyclohexane-1,3-diamine?
The InChIKey is LSMKSHFJBRZVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-7-4-5-8(10)6-9(7)11-2/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-ethyl-3-N-methylcyclohexane-1,3-diamine?
4-ethyl-3-N-methylcyclohexane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 168995405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).