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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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).