(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine

C18H31N — CID 123142784

IUPAC(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine
SMILESC/C=C\C(=N\CCC(C)C1CCCC1)C(C)=CCC
InChIInChI=1S/C18H31N/c1-5-9-16(4)18(10-6-2)19-14-13-15(3)17-11-7-8-12-17/h6,9-10,15,17H,5,7-8,11-14H2,1-4H3/b10-6-,16-9?,19-18-
InChIKeyPYDHYEWNDBUPMB-SJTVFMRLSA-N
MW261.45 g/mol
LogP5.58
Rot. Bonds7

About (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine

(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine (PubChem CID 123142784) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine.

Molecular Properties

Compound Name(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine
PubChem CID123142784
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine
SMILESC/C=C\C(=N\CCC(C)C1CCCC1)C(C)=CCC
InChIInChI=1S/C18H31N/c1-5-9-16(4)18(10-6-2)19-14-13-15(3)17-11-7-8-12-17/h6,9-10,15,17H,5,7-8,11-14H2,1-4H3/b10-6-,16-9?,19-18-
InChIKeyPYDHYEWNDBUPMB-SJTVFMRLSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Lanopylin A1
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Lanopylin B2
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Lanopylin A2
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(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
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5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
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(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
5-Methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
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3-Hexadecyl-5-methyl-4-methylidene-2,3-dihydropyrrole
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5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine?
The IUPAC name of (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine (CID 123142784) is (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine.
What is the SMILES notation for (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine?
The canonical SMILES for (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine is C/C=C\C(=N\CCC(C)C1CCCC1)C(C)=CCC.
What is the InChIKey of (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine?
The InChIKey is PYDHYEWNDBUPMB-SJTVFMRLSA-N. The full InChI is InChI=1S/C18H31N/c1-5-9-16(4)18(10-6-2)19-14-13-15(3)17-11-7-8-12-17/h6,9-10,15,17H,5,7-8,11-14H2,1-4H3/b10-6-,16-9?,19-18-.
What are the key properties of (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine?
(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine has a molecular weight of 261.45 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine is sourced from PubChem (CID 123142784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).