(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine

C15H22N2 — CID 123522463

IUPAC(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine
SMILES[H]/N=C(/C=C(C)\N=C\C(=C/C=C)C(C)C)C1CC1
InChIInChI=1S/C15H22N2/c1-5-6-14(11(2)3)10-17-12(4)9-15(16)13-7-8-13/h5-6,9-11,13,16H,1,7-8H2,2-4H3/b12-9-,14-6+,16-15-,17-10+
InChIKeyKTSZKOAQYIDGLC-LNGRIHMXSA-N
MW230.35 g/mol
LogP4.16
Rot. Bonds6

About (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine

(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine (PubChem CID 123522463) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine
PubChem CID123522463
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine
SMILES[H]/N=C(/C=C(C)\N=C\C(=C/C=C)C(C)C)C1CC1
InChIInChI=1S/C15H22N2/c1-5-6-14(11(2)3)10-17-12(4)9-15(16)13-7-8-13/h5-6,9-11,13,16H,1,7-8H2,2-4H3/b12-9-,14-6+,16-15-,17-10+
InChIKeyKTSZKOAQYIDGLC-LNGRIHMXSA-N
XLogP4.16
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.16
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 (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 166976500
4-Cyclopropyl-1,1,1-trifluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)iminobut-2-en-2-amine
CID 173752617
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
(3E)-4-cyclopropylhexa-3,5-diene-1,2-diimine
CID 90243508
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
CID 90943080
(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
CID 123977223
(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine
CID 126593849
(2E)-2-[(E)-3-cyclopropylprop-2-enylidene]-N-methylpyridin-3-imine
CID 130370350
(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine
CID 131966680
(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine
CID 134419995
(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine
CID 134594116
(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
CID 138486150

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine (CID 123522463) is (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine is [H]/N=C(/C=C(C)\N=C\C(=C/C=C)C(C)C)C1CC1.
What is the InChIKey of (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine?
The InChIKey is KTSZKOAQYIDGLC-LNGRIHMXSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-6-14(11(2)3)10-17-12(4)9-15(16)13-7-8-13/h5-6,9-11,13,16H,1,7-8H2,2-4H3/b12-9-,14-6+,16-15-,17-10+.
What are the key properties of (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine?
(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine has a molecular weight of 230.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 123522463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).