1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine

C11H22N2 — CID 79469660

IUPAC1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
SMILESCCN(C1CC1)C1CCCC(N)C1
InChIInChI=1S/C11H22N2/c1-2-13(10-6-7-10)11-5-3-4-9(12)8-11/h9-11H,2-8,12H2,1H3
InChIKeyZYGVKFGRKLPJDV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.74
Rot. Bonds3

About 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine

1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine (PubChem CID 79469660) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
PubChem CID79469660
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
SMILESCCN(C1CC1)C1CCCC(N)C1
InChIInChI=1S/C11H22N2/c1-2-13(10-6-7-10)11-5-3-4-9(12)8-11/h9-11H,2-8,12H2,1H3
InChIKeyZYGVKFGRKLPJDV-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
CID 79468427
3-[cyclopentyl(ethyl)amino]cyclopentan-1-ol
CID 79642890
N-cyclopentyl-N-ethyl-4-methylcyclohexan-1-amine
CID 58662071
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
3-N-cyclopropyl-3-N-(2-methylpropyl)cyclopentane-1,3-diamine
CID 79468759
4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
CID 79115915
2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
CID 43541047
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
CID 79116171
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635
1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
CID 79467774
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
CID 79630666

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine (CID 79469660) is 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine is CCN(C1CC1)C1CCCC(N)C1.
What is the InChIKey of 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine?
The InChIKey is ZYGVKFGRKLPJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-13(10-6-7-10)11-5-3-4-9(12)8-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine?
1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine is sourced from PubChem (CID 79469660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).