3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine

C17H24N2 — CID 172585384

IUPAC3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine
SMILESC=C/C=C\N=C(/CC)C(=CC)/C(=N/C=C\C)C1CC1
InChIInChI=1S/C17H24N2/c1-5-9-13-18-16(8-4)15(7-3)17(14-10-11-14)19-12-6-2/h5-7,9,12-14H,1,8,10-11H2,2-4H3/b12-6-,13-9-,15-7?,18-16+,19-17+
InChIKeyCYCNUCWRVYLPJM-ZFOIZFEWSA-N
MW256.39 g/mol
LogP4.87
Rot. Bonds7

About 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine

3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine (PubChem CID 172585384) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine.

Molecular Properties

Compound Name3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine
PubChem CID172585384
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine
SMILESC=C/C=C\N=C(/CC)C(=CC)/C(=N/C=C\C)C1CC1
InChIInChI=1S/C17H24N2/c1-5-9-13-18-16(8-4)15(7-3)17(14-10-11-14)19-12-6-2/h5-7,9,12-14H,1,8,10-11H2,2-4H3/b12-6-,13-9-,15-7?,18-16+,19-17+
InChIKeyCYCNUCWRVYLPJM-ZFOIZFEWSA-N
XLogP4.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.87
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'}

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]butan-2-imine
CID 142112981
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
CID 164902460
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 155014494
N,N-dimethyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 170048230

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine?
The IUPAC name of 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine (CID 172585384) is 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine.
What is the SMILES notation for 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine?
The canonical SMILES for 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine is C=C/C=C\N=C(/CC)C(=CC)/C(=N/C=C\C)C1CC1.
What is the InChIKey of 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine?
The InChIKey is CYCNUCWRVYLPJM-ZFOIZFEWSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-9-13-18-16(8-4)15(7-3)17(14-10-11-14)19-12-6-2/h5-7,9,12-14H,1,8,10-11H2,2-4H3/b12-6-,13-9-,15-7?,18-16+,19-17+.
What are the key properties of 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine?
3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine has a molecular weight of 256.39 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1Z)-buta-1,3-dienyl]-1-cyclopropyl-2-ethylidene-1-N-[(Z)-prop-1-enyl]pentane-1,3-diimine is sourced from PubChem (CID 172585384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).