(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine

C16H31N3 — CID 134466051

IUPAC(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine
SMILES[H]/N=C(C)/C(CCNC1CCC(C)(C)CC1C)=C(/C)N
InChIInChI=1S/C16H31N3/c1-11-10-16(4,5)8-6-15(11)19-9-7-14(12(2)17)13(3)18/h11,15,17,19H,6-10,18H2,1-5H3/b14-13-,17-12+
InChIKeyIXLCLZDGHXWZAS-AHKZZRKOSA-N
MW265.44 g/mol
LogP3.45
Rot. Bonds5

About (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine

(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine (PubChem CID 134466051) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine
PubChem CID134466051
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine
SMILES[H]/N=C(C)/C(CCNC1CCC(C)(C)CC1C)=C(/C)N
InChIInChI=1S/C16H31N3/c1-11-10-16(4,5)8-6-15(11)19-9-7-14(12(2)17)13(3)18/h11,15,17,19H,6-10,18H2,1-5H3/b14-13-,17-12+
InChIKeyIXLCLZDGHXWZAS-AHKZZRKOSA-N
XLogP3.45
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine?
The IUPAC name of (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine (CID 134466051) is (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine.
What is the SMILES notation for (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine?
The canonical SMILES for (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine is [H]/N=C(C)/C(CCNC1CCC(C)(C)CC1C)=C(/C)N.
What is the InChIKey of (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine?
The InChIKey is IXLCLZDGHXWZAS-AHKZZRKOSA-N. The full InChI is InChI=1S/C16H31N3/c1-11-10-16(4,5)8-6-15(11)19-9-7-14(12(2)17)13(3)18/h11,15,17,19H,6-10,18H2,1-5H3/b14-13-,17-12+.
What are the key properties of (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine?
(Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine has a molecular weight of 265.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethanimidoyl-1-N-(2,4,4-trimethylcyclohexyl)pent-3-ene-1,4-diamine is sourced from PubChem (CID 134466051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).