N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine

C17H36N4 — CID 15960143

IUPACN-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC/N=C(C)/C=C(/C)NCCN(CC)CC
InChIInChI=1S/C17H36N4/c1-7-20(8-2)13-11-18-16(5)15-17(6)19-12-14-21(9-3)10-4/h15,18H,7-14H2,1-6H3/b16-15-,19-17+
InChIKeyNDKNOCLMFZGXMD-IHBLQEGUSA-N
MW296.50 g/mol
LogP2.62
Rot. Bonds12

About N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine

N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 15960143) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID15960143
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC NameN-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC/N=C(C)/C=C(/C)NCCN(CC)CC
InChIInChI=1S/C17H36N4/c1-7-20(8-2)13-11-18-16(5)15-17(6)19-12-14-21(9-3)10-4/h15,18H,7-14H2,1-6H3/b16-15-,19-17+
InChIKeyNDKNOCLMFZGXMD-IHBLQEGUSA-N
XLogP2.62
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-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 N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine (CID 15960143) is N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CC/N=C(C)/C=C(/C)NCCN(CC)CC.
What is the InChIKey of N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is NDKNOCLMFZGXMD-IHBLQEGUSA-N. The full InChI is InChI=1S/C17H36N4/c1-7-20(8-2)13-11-18-16(5)15-17(6)19-12-14-21(9-3)10-4/h15,18H,7-14H2,1-6H3/b16-15-,19-17+.
What are the key properties of N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine?
N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 2.62, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 15960143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).