(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane

C11H22N2 — CID 165400031

IUPAC(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane
SMILESC=C/C(C)=C(/N=C\CC)NC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-7-11-9(10-4)8(3)6-2;1-2/h6-7,10H,2,5H2,1,3-4H3;1-2H3/b9-8+,11-7-;
InChIKeyPOAHZPVDPHCGNR-LAYFAJFLSA-N
MW182.31 g/mol
LogP3.13
Rot. Bonds4

About (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane

(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane (PubChem CID 165400031) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane.

Molecular Properties

Compound Name(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane
PubChem CID165400031
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane
SMILESC=C/C(C)=C(/N=C\CC)NC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-7-11-9(10-4)8(3)6-2;1-2/h6-7,10H,2,5H2,1,3-4H3;1-2H3/b9-8+,11-7-;
InChIKeyPOAHZPVDPHCGNR-LAYFAJFLSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
CID 88579811
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
3-ethenyl-N,6,6-trimethylazepin-2-amine
CID 143533139
(Z)-N-(3-ethenyl-4-methylidene-1H-pyridin-2-yl)ethanimine
CID 143533360
(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine
CID 143718084
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514
(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
CID 143940433
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 144672554
ethane;N-[2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dienyl]thiohydroxylamine
CID 145001398
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 145001416
(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane
CID 145017836

Frequently Asked Questions

What is the IUPAC name of (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane?
The IUPAC name of (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane (CID 165400031) is (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane.
What is the SMILES notation for (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane?
The canonical SMILES for (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane is C=C/C(C)=C(/N=C\CC)NC.CC.
What is the InChIKey of (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane?
The InChIKey is POAHZPVDPHCGNR-LAYFAJFLSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-5-7-11-9(10-4)8(3)6-2;1-2/h6-7,10H,2,5H2,1,3-4H3;1-2H3/b9-8+,11-7-;.
What are the key properties of (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane?
(1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,2-dimethyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine;ethane is sourced from PubChem (CID 165400031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).