(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane

C15H28N2 — CID 142875403

IUPAC(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
SMILESC=CN(/N=C\C)C(/C=C\C)=C\CC.CC(C)C
InChIInChI=1S/C11H18N2.C4H10/c1-5-9-11(10-6-2)13(8-4)12-7-3;1-4(2)3/h5,7-10H,4,6H2,1-3H3;4H,1-3H3/b9-5-,11-10-,12-7-;
InChIKeyJXHOAVQZHAHVSZ-HKVDPYFBSA-N
MW236.40 g/mol
LogP4.97
Rot. Bonds5

About (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane

(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane (PubChem CID 142875403) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane.

Molecular Properties

Compound Name(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
PubChem CID142875403
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
SMILESC=CN(/N=C\C)C(/C=C\C)=C\CC.CC(C)C
InChIInChI=1S/C11H18N2.C4H10/c1-5-9-11(10-6-2)13(8-4)12-7-3;1-4(2)3/h5,7-10H,4,6H2,1-3H3;4H,1-3H3/b9-5-,11-10-,12-7-;
InChIKeyJXHOAVQZHAHVSZ-HKVDPYFBSA-N
XLogP4.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.97
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'}

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Related Compounds

(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine
CID 155358527
(Z)-N-(4-fluoro-5-methyl-2-methylidene-1-pyridinyl)ethanimine
CID 166858571
5-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284052
7-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284144
3,3-Dimethylpyrido[1,2-b]pyridazine
CID 68332893
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
1,4,4-Trimethyl-7-methylidenediazepine
CID 91299695
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
2-hepta-3,5-dien-3-yl-3H-pyridazine
CID 91480402
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
3,6-Dimethyl-3,4-dihydropyrido[1,2-b]diazepine
CID 123184632
3-methyl-3H-pyrido[1,2-b]pyridazine
CID 123373938

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane?
The IUPAC name of (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane (CID 142875403) is (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane.
What is the SMILES notation for (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane?
The canonical SMILES for (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane is C=CN(/N=C\C)C(/C=C\C)=C\CC.CC(C)C.
What is the InChIKey of (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane?
The InChIKey is JXHOAVQZHAHVSZ-HKVDPYFBSA-N. The full InChI is InChI=1S/C11H18N2.C4H10/c1-5-9-11(10-6-2)13(8-4)12-7-3;1-4(2)3/h5,7-10H,4,6H2,1-3H3;4H,1-3H3/b9-5-,11-10-,12-7-;.
What are the key properties of (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane?
(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane has a molecular weight of 236.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane is sourced from PubChem (CID 142875403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).