N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine

C11H22N2 — CID 139362552

IUPACN'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine
SMILESC=C(C)C1CCCC(NCCN)C1
InChIInChI=1S/C11H22N2/c1-9(2)10-4-3-5-11(8-10)13-7-6-12/h10-11,13H,1,3-8,12H2,2H3
InChIKeyNTEZUDDTJZAUGL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.67
Rot. Bonds4

About N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine

N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine (PubChem CID 139362552) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine
PubChem CID139362552
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine
SMILESC=C(C)C1CCCC(NCCN)C1
InChIInChI=1S/C11H22N2/c1-9(2)10-4-3-5-11(8-10)13-7-6-12/h10-11,13H,1,3-8,12H2,2H3
InChIKeyNTEZUDDTJZAUGL-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.67
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 N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine (CID 139362552) is N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine is C=C(C)C1CCCC(NCCN)C1.
What is the InChIKey of N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine?
The InChIKey is NTEZUDDTJZAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)10-4-3-5-11(8-10)13-7-6-12/h10-11,13H,1,3-8,12H2,2H3.
What are the key properties of N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine?
N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-prop-1-en-2-ylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 139362552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).