(E)-3,5-dimethyl-N-propylundec-2-en-4-imine

C16H31N — CID 123347173

IUPAC(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
SMILESC/C=C(C)/C(=N\CCC)C(C)CCCCCC
InChIInChI=1S/C16H31N/c1-6-9-10-11-12-15(5)16(14(4)8-3)17-13-7-2/h8,15H,6-7,9-13H2,1-5H3/b14-8+,17-16+
InChIKeyHGUGKLREWQVMJQ-NUALOOOOSA-N
MW237.43 g/mol
LogP5.41
Rot. Bonds9

About (E)-3,5-dimethyl-N-propylundec-2-en-4-imine

(E)-3,5-dimethyl-N-propylundec-2-en-4-imine (PubChem CID 123347173) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (E)-3,5-dimethyl-N-propylundec-2-en-4-imine.

Molecular Properties

Compound Name(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
PubChem CID123347173
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
SMILESC/C=C(C)/C(=N\CCC)C(C)CCCCCC
InChIInChI=1S/C16H31N/c1-6-9-10-11-12-15(5)16(14(4)8-3)17-13-7-2/h8,15H,6-7,9-13H2,1-5H3/b14-8+,17-16+
InChIKeyHGUGKLREWQVMJQ-NUALOOOOSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.41
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'}

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Related Compounds

Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
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 (E)-3,5-dimethyl-N-propylundec-2-en-4-imine?
The IUPAC name of (E)-3,5-dimethyl-N-propylundec-2-en-4-imine (CID 123347173) is (E)-3,5-dimethyl-N-propylundec-2-en-4-imine.
What is the SMILES notation for (E)-3,5-dimethyl-N-propylundec-2-en-4-imine?
The canonical SMILES for (E)-3,5-dimethyl-N-propylundec-2-en-4-imine is C/C=C(C)/C(=N\CCC)C(C)CCCCCC.
What is the InChIKey of (E)-3,5-dimethyl-N-propylundec-2-en-4-imine?
The InChIKey is HGUGKLREWQVMJQ-NUALOOOOSA-N. The full InChI is InChI=1S/C16H31N/c1-6-9-10-11-12-15(5)16(14(4)8-3)17-13-7-2/h8,15H,6-7,9-13H2,1-5H3/b14-8+,17-16+.
What are the key properties of (E)-3,5-dimethyl-N-propylundec-2-en-4-imine?
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine has a molecular weight of 237.43 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethyl-N-propylundec-2-en-4-imine is sourced from PubChem (CID 123347173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).