(E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine

C25H40N2 — CID 172585510

IUPAC(E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine
SMILESCC/C=C\N=C(\C(=C(C)CCC)C(=C/CC)/N=C/C=C(\C)CCC)C1CC1
InChIInChI=1S/C25H40N2/c1-7-11-18-27-25(22-15-16-22)24(21(6)13-9-3)23(14-10-4)26-19-17-20(5)12-8-2/h11,14,17-19,22H,7-10,12-13,15-16H2,1-6H3/b18-11-,20-17+,23-14-,24-21+,26-19+,27-25+
InChIKeyWBMSCYLIIQJFGW-DHJGTTKLSA-N
MW368.61 g/mol
LogP7.99
Rot. Bonds12

About (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine

(E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine (PubChem CID 172585510) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine
PubChem CID172585510
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC Name(E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine
SMILESCC/C=C\N=C(\C(=C(C)CCC)C(=C/CC)/N=C/C=C(\C)CCC)C1CC1
InChIInChI=1S/C25H40N2/c1-7-11-18-27-25(22-15-16-22)24(21(6)13-9-3)23(14-10-4)26-19-17-20(5)12-8-2/h11,14,17-19,22H,7-10,12-13,15-16H2,1-6H3/b18-11-,20-17+,23-14-,24-21+,26-19+,27-25+
InChIKeyWBMSCYLIIQJFGW-DHJGTTKLSA-N
XLogP7.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine with MolForge

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Related Compounds

N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N-(4-ethyl-2,7-dimethyl-2H-azepin-5-yl)-5-methyloct-6-en-2-imine
CID 91493860
2-[(1Z)-3-cyclopropylpenta-1,3-dienyl]-N-[(1E)-3,5-dimethylhepta-1,3-dienyl]-3,6-dimethyl-7-[(3E,5Z)-7-methylocta-1,3,5,7-tetraen-3-yl]azepin-4-imine
CID 123655961
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
3-Methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine
CID 123985620
ethane;(2Z)-2-ethylidene-N-[(2E,4Z)-6-methyl-4-propylocta-2,4-dien-3-yl]hexan-1-imine
CID 141877333
N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine
CID 142311467
6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine
CID 142816594
N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine;(3Z)-hexa-1,3,5-triene;N,2,2-trimethylpropan-1-imine
CID 142967495
N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine
CID 146240114
(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane
CID 153355166
(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine
CID 163250334

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine?
The IUPAC name of (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine (CID 172585510) is (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine is CC/C=C\N=C(\C(=C(C)CCC)C(=C/CC)/N=C/C=C(\C)CCC)C1CC1.
What is the InChIKey of (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine?
The InChIKey is WBMSCYLIIQJFGW-DHJGTTKLSA-N. The full InChI is InChI=1S/C25H40N2/c1-7-11-18-27-25(22-15-16-22)24(21(6)13-9-3)23(14-10-4)26-19-17-20(5)12-8-2/h11,14,17-19,22H,7-10,12-13,15-16H2,1-6H3/b18-11-,20-17+,23-14-,24-21+,26-19+,27-25+.
What are the key properties of (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine?
(E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine has a molecular weight of 368.61 g/mol, XLogP of 7.99, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-1-enyl]-1-cyclopropyl-3-methyl-2-[(Z)-1-[[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]hex-2-en-1-imine is sourced from PubChem (CID 172585510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).