N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine

C16H28N2 — CID 130459844

IUPACN-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H28N2/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16/h5-7,12,14,16H,8-11,13H2,1-4H3/b7-5-,15-12+,17-6+
InChIKeyFCQPVTKMUUGUEQ-JSZPCFNGSA-N
MW248.41 g/mol
LogP4.05
Rot. Bonds5

About N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine

N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 130459844) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID130459844
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H28N2/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16/h5-7,12,14,16H,8-11,13H2,1-4H3/b7-5-,15-12+,17-6+
InChIKeyFCQPVTKMUUGUEQ-JSZPCFNGSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine 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 N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine (CID 130459844) is N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine is C/C=C\C(=C/N=C/C)CN(C)C1CCC(C)CC1.
What is the InChIKey of N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is FCQPVTKMUUGUEQ-JSZPCFNGSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16/h5-7,12,14,16H,8-11,13H2,1-4H3/b7-5-,15-12+,17-6+.
What are the key properties of N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 130459844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).