2-N-cyclohexylbut-3-ene-1,2-diamine

C10H20N2 — CID 70485048

IUPAC2-N-cyclohexylbut-3-ene-1,2-diamine
SMILESC=CC(CN)NC1CCCCC1
InChIInChI=1S/C10H20N2/c1-2-9(8-11)12-10-6-4-3-5-7-10/h2,9-10,12H,1,3-8,11H2
InChIKeyUNNOVYSZTQWOGM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.42
Rot. Bonds4

About 2-N-cyclohexylbut-3-ene-1,2-diamine

2-N-cyclohexylbut-3-ene-1,2-diamine (PubChem CID 70485048) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-N-cyclohexylbut-3-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexylbut-3-ene-1,2-diamine
PubChem CID70485048
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-N-cyclohexylbut-3-ene-1,2-diamine
SMILESC=CC(CN)NC1CCCCC1
InChIInChI=1S/C10H20N2/c1-2-9(8-11)12-10-6-4-3-5-7-10/h2,9-10,12H,1,3-8,11H2
InChIKeyUNNOVYSZTQWOGM-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Allylcyclohexylamine
CID 81115
N-non-1-en-3-ylcyclohexanamine
CID 14119915
N-[(2Z)-octa-2,7-dienyl]cyclohexanamine
CID 134994037
N-(2-deuterioprop-2-enyl)cyclohexanamine
CID 10080492
Cyclohexanamine, N-3-butenyl-
CID 3252108
1-N,2-N-dimethyl-2-N-prop-2-enylcyclohexane-1,2-diamine
CID 12416305
(1R,2R)-N~1~,N~2~-Dimethyl-N~1~-(prop-2-en-1-yl)cyclohexane-1,2-diamine
CID 12416306
2-N-methyl-2-N-prop-2-enylcyclohexane-1,2-diamine
CID 13544007
trans-(1R,2R)-2-N-methyl-2-N-prop-2-enylcyclohexane-1,2-diamine
CID 13544008
N-but-3-en-2-ylcyclohexanamine
CID 14119919
N-prop-2-enylcyclohexanamine;hydrochloride
CID 18686625
azane;N-prop-2-enylcyclohexanamine
CID 22328045

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexylbut-3-ene-1,2-diamine?
The IUPAC name of 2-N-cyclohexylbut-3-ene-1,2-diamine (CID 70485048) is 2-N-cyclohexylbut-3-ene-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexylbut-3-ene-1,2-diamine?
The canonical SMILES for 2-N-cyclohexylbut-3-ene-1,2-diamine is C=CC(CN)NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexylbut-3-ene-1,2-diamine?
The InChIKey is UNNOVYSZTQWOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-9(8-11)12-10-6-4-3-5-7-10/h2,9-10,12H,1,3-8,11H2.
What are the key properties of 2-N-cyclohexylbut-3-ene-1,2-diamine?
2-N-cyclohexylbut-3-ene-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexylbut-3-ene-1,2-diamine is sourced from PubChem (CID 70485048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).