N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine

C19H35N — CID 130183025

IUPACN-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine
SMILESCCCC/C=N/CC(/C=C\C(C)CCC)=C/CCCC
InChIInChI=1S/C19H35N/c1-5-8-10-13-19(15-14-18(4)12-7-3)17-20-16-11-9-6-2/h13-16,18H,5-12,17H2,1-4H3/b15-14-,19-13+,20-16+
InChIKeySAGABZNDNMRQGQ-VDPUAEDKSA-N
MW277.50 g/mol
LogP6.36
Rot. Bonds12

About N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine

N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine (PubChem CID 130183025) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine.

Molecular Properties

Compound NameN-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine
PubChem CID130183025
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine
SMILESCCCC/C=N/CC(/C=C\C(C)CCC)=C/CCCC
InChIInChI=1S/C19H35N/c1-5-8-10-13-19(15-14-18(4)12-7-3)17-20-16-11-9-6-2/h13-16,18H,5-12,17H2,1-4H3/b15-14-,19-13+,20-16+
InChIKeySAGABZNDNMRQGQ-VDPUAEDKSA-N
XLogP6.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.36
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-methylhexadec-5-ene
CID 150059561
(6R)-6-methylnon-4-ene
CID 175484589
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
(E)-5-methyloct-3-en-2-ol
CID 87272942
N-(iodomethyl)pentan-1-imine
CID 163595054
(2E,4Z)-6-methyldeca-2,4-dien-3-amine
CID 156711872
5-methyldodec-6-ene
CID 86165480
2-(2-methylpentyl)oct-2-enal
CID 54262273
(Z)-4-methylhept-2-ene
CID 5352649
(E)-4-methyltetradec-2-enoic acid
CID 173352049
(E)-3-methylundec-4-en-1-ol
CID 121006781
(E,5S)-5-methylnon-3-ene
CID 101420891

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine?
The IUPAC name of N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine (CID 130183025) is N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine.
What is the SMILES notation for N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine?
The canonical SMILES for N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine is CCCC/C=N/CC(/C=C\C(C)CCC)=C/CCCC.
What is the InChIKey of N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine?
The InChIKey is SAGABZNDNMRQGQ-VDPUAEDKSA-N. The full InChI is InChI=1S/C19H35N/c1-5-8-10-13-19(15-14-18(4)12-7-3)17-20-16-11-9-6-2/h13-16,18H,5-12,17H2,1-4H3/b15-14-,19-13+,20-16+.
What are the key properties of N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine?
N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine has a molecular weight of 277.50 g/mol, XLogP of 6.36, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine is sourced from PubChem (CID 130183025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).