N-cyclotridecylpent-1-en-1-imine

C18H33N — CID 123463527

IUPACN-cyclotridecylpent-1-en-1-imine
SMILESCCCC=C=NC1CCCCCCCCCCCC1
InChIInChI=1S/C18H33N/c1-2-3-14-17-19-18-15-12-10-8-6-4-5-7-9-11-13-16-18/h14,18H,2-13,15-16H2,1H3
InChIKeyJXIYWLABBXBGQR-UHFFFAOYSA-N
MW263.47 g/mol
LogP6.08
Rot. Bonds3

About N-cyclotridecylpent-1-en-1-imine

N-cyclotridecylpent-1-en-1-imine (PubChem CID 123463527) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-cyclotridecylpent-1-en-1-imine.

Molecular Properties

Compound NameN-cyclotridecylpent-1-en-1-imine
PubChem CID123463527
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-cyclotridecylpent-1-en-1-imine
SMILESCCCC=C=NC1CCCCCCCCCCCC1
InChIInChI=1S/C18H33N/c1-2-3-14-17-19-18-15-12-10-8-6-4-5-7-9-11-13-16-18/h14,18H,2-13,15-16H2,1H3
InChIKeyJXIYWLABBXBGQR-UHFFFAOYSA-N
XLogP6.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.08
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

N'-cycloundecylmethanediimine
CID 166908646
N,N'-dicyclohexylmethanediimine;λ2-plumbane
CID 174956509
N-cyclohexylpropan-1-imine
CID 3489363
sodium;N,N'-dicyclohexylmethanediimine;hydride
CID 175020266
N-cyclohexylethenimine
CID 22149410
N,N'-dicyclohexylmethanediimine;ethynoxyethane
CID 21481424
N-cyclohexylhexan-3-imine
CID 13140474
N'-tert-butyl-N-cyclopentylmethanediimine
CID 44613172
N,N'-dicyclohexylmethanediimine;propan-2-one
CID 142827484
N'-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanediimine
CID 89225813
N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine
CID 23220269
N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine
CID 131972397

Frequently Asked Questions

What is the IUPAC name of N-cyclotridecylpent-1-en-1-imine?
The IUPAC name of N-cyclotridecylpent-1-en-1-imine (CID 123463527) is N-cyclotridecylpent-1-en-1-imine.
What is the SMILES notation for N-cyclotridecylpent-1-en-1-imine?
The canonical SMILES for N-cyclotridecylpent-1-en-1-imine is CCCC=C=NC1CCCCCCCCCCCC1.
What is the InChIKey of N-cyclotridecylpent-1-en-1-imine?
The InChIKey is JXIYWLABBXBGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-3-14-17-19-18-15-12-10-8-6-4-5-7-9-11-13-16-18/h14,18H,2-13,15-16H2,1H3.
What are the key properties of N-cyclotridecylpent-1-en-1-imine?
N-cyclotridecylpent-1-en-1-imine has a molecular weight of 263.47 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclotridecylpent-1-en-1-imine is sourced from PubChem (CID 123463527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).