1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine

C11H22N2 — CID 79458363

IUPAC1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)C1CC1
InChIInChI=1S/C11H22N2/c1-8(9-5-6-9)13-11-4-2-3-10(12)7-11/h8-11,13H,2-7,12H2,1H3
InChIKeyUBNGJSVYMQIOSC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds3

About 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine

1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine (PubChem CID 79458363) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
PubChem CID79458363
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)C1CC1
InChIInChI=1S/C11H22N2/c1-8(9-5-6-9)13-11-4-2-3-10(12)7-11/h8-11,13H,2-7,12H2,1H3
InChIKeyUBNGJSVYMQIOSC-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
CID 79461481
1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
CID 80559737
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835
N-[(1R)-1-cyclopentylethyl]-3-ethylcyclopentan-1-amine
CID 81395536
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine (CID 79458363) is 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine is CC(NC1CCCC(N)C1)C1CC1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine?
The InChIKey is UBNGJSVYMQIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(9-5-6-9)13-11-4-2-3-10(12)7-11/h8-11,13H,2-7,12H2,1H3.
What are the key properties of 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine?
1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).