ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine

C15H28N2 — CID 143636713

IUPACethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(C=C)/N=C\C.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-5-9-11(10-6-2)13(8-4)12-7-3;2*1-2/h5-10H,1,4H2,2-3H3;2*1-2H3/b10-6-,11-9+,12-7-;;
InChIKeyVMBNBXIIZWPUKB-GSFYCIPXSA-N
MW236.40 g/mol
LogP5.14
Rot. Bonds5

About ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine

ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine (PubChem CID 143636713) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Nameethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine
PubChem CID143636713
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(C=C)/N=C\C.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-5-9-11(10-6-2)13(8-4)12-7-3;2*1-2/h5-10H,1,4H2,2-3H3;2*1-2H3/b10-6-,11-9+,12-7-;;
InChIKeyVMBNBXIIZWPUKB-GSFYCIPXSA-N
XLogP5.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine 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

(Z)-N-(4-fluoro-2-methylidene-1-pyridinyl)ethanimine
CID 139374508
N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine
CID 20601374
1-Methyl-6-methylidenepyridazine
CID 57558126
(Z)-1-(6-methylidenepyridazin-1-yl)prop-1-en-2-amine
CID 68215653
(Z)-N-(2-methyl-6-methylidene-1-pyridinyl)ethanimine
CID 88272988
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
(1Z)-N-[(Z)-ethylideneamino]-N-propan-2-ylbuta-1,3-dien-1-amine
CID 88922600
(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
CID 88923578
6-Methylidene-1-propan-2-ylpyridazine
CID 89502125
N-(ethylideneamino)-N-methylhexa-2,4-dien-2-amine
CID 90945235
N-methyl-N-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
CID 91026933
2-hexa-2,4-dien-2-yl-1-methyl-3H-pyridazin-1-ium
CID 91147295

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine?
The IUPAC name of ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine (CID 143636713) is ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine.
What is the SMILES notation for ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine?
The canonical SMILES for ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)N(C=C)/N=C\C.CC.CC.
What is the InChIKey of ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine?
The InChIKey is VMBNBXIIZWPUKB-GSFYCIPXSA-N. The full InChI is InChI=1S/C11H16N2.2C2H6/c1-5-9-11(10-6-2)13(8-4)12-7-3;2*1-2/h5-10H,1,4H2,2-3H3;2*1-2H3/b10-6-,11-9+,12-7-;;.
What are the key properties of ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine?
ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine has a molecular weight of 236.40 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143636713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).