(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine

C14H27N3 — CID 146492444

IUPAC(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine
SMILES[H]/N=C/C(=C\N)C(C)CN(CC)CC1CCCC1
InChIInChI=1S/C14H27N3/c1-3-17(11-13-6-4-5-7-13)10-12(2)14(8-15)9-16/h8-9,12-13,15H,3-7,10-11,16H2,1-2H3/b14-9+,15-8+
InChIKeyAKOIBVZULNPSLB-LPSKSUNQSA-N
MW237.39 g/mol
LogP2.63
Rot. Bonds7

About (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine

(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine (PubChem CID 146492444) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine
PubChem CID146492444
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine
SMILES[H]/N=C/C(=C\N)C(C)CN(CC)CC1CCCC1
InChIInChI=1S/C14H27N3/c1-3-17(11-13-6-4-5-7-13)10-12(2)14(8-15)9-16/h8-9,12-13,15H,3-7,10-11,16H2,1-2H3/b14-9+,15-8+
InChIKeyAKOIBVZULNPSLB-LPSKSUNQSA-N
XLogP2.63
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine?
The IUPAC name of (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine (CID 146492444) is (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine is [H]/N=C/C(=C\N)C(C)CN(CC)CC1CCCC1.
What is the InChIKey of (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine?
The InChIKey is AKOIBVZULNPSLB-LPSKSUNQSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-17(11-13-6-4-5-7-13)10-12(2)14(8-15)9-16/h8-9,12-13,15H,3-7,10-11,16H2,1-2H3/b14-9+,15-8+.
What are the key properties of (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine?
(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine is sourced from PubChem (CID 146492444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).