(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine

C20H35N — CID 123577888

IUPAC(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine
SMILESC=CC/C(=C\C(CC)=N\C(C)CC1CCC1)CCCCC
InChIInChI=1S/C20H35N/c1-5-8-9-12-18(11-6-2)16-20(7-3)21-17(4)15-19-13-10-14-19/h6,16-17,19H,2,5,7-15H2,1,3-4H3/b18-16+,21-20+
InChIKeyKLBZLMQTWJGYDR-NZJQRKSASA-N
MW289.51 g/mol
LogP6.50
Rot. Bonds11

About (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine

(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine (PubChem CID 123577888) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine
PubChem CID123577888
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine
SMILESC=CC/C(=C\C(CC)=N\C(C)CC1CCC1)CCCCC
InChIInChI=1S/C20H35N/c1-5-8-9-12-18(11-6-2)16-20(7-3)21-17(4)15-19-13-10-14-19/h6,16-17,19H,2,5,7-15H2,1,3-4H3/b18-16+,21-20+
InChIKeyKLBZLMQTWJGYDR-NZJQRKSASA-N
XLogP6.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 9883534
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Lanopylin B2
CID 11279421
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine?
The IUPAC name of (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine (CID 123577888) is (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine.
What is the SMILES notation for (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine?
The canonical SMILES for (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine is C=CC/C(=C\C(CC)=N\C(C)CC1CCC1)CCCCC.
What is the InChIKey of (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine?
The InChIKey is KLBZLMQTWJGYDR-NZJQRKSASA-N. The full InChI is InChI=1S/C20H35N/c1-5-8-9-12-18(11-6-2)16-20(7-3)21-17(4)15-19-13-10-14-19/h6,16-17,19H,2,5,7-15H2,1,3-4H3/b18-16+,21-20+.
What are the key properties of (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine?
(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine has a molecular weight of 289.51 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine is sourced from PubChem (CID 123577888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).