N-(3-cyclohexadecylbut-1-enyl)propan-2-imine

C23H43N — CID 123559343

IUPACN-(3-cyclohexadecylbut-1-enyl)propan-2-imine
SMILESCC(C)=NC=CC(C)C1CCCCCCCCCCCCCCC1
InChIInChI=1S/C23H43N/c1-21(2)24-20-19-22(3)23-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23/h19-20,22-23H,4-18H2,1-3H3
InChIKeyVYYTXVNSMGSXSO-UHFFFAOYSA-N
MW333.60 g/mol
LogP8.10
Rot. Bonds3

About N-(3-cyclohexadecylbut-1-enyl)propan-2-imine

N-(3-cyclohexadecylbut-1-enyl)propan-2-imine (PubChem CID 123559343) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is N-(3-cyclohexadecylbut-1-enyl)propan-2-imine.

Molecular Properties

Compound NameN-(3-cyclohexadecylbut-1-enyl)propan-2-imine
PubChem CID123559343
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC NameN-(3-cyclohexadecylbut-1-enyl)propan-2-imine
SMILESCC(C)=NC=CC(C)C1CCCCCCCCCCCCCCC1
InChIInChI=1S/C23H43N/c1-21(2)24-20-19-22(3)23-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23/h19-20,22-23H,4-18H2,1-3H3
InChIKeyVYYTXVNSMGSXSO-UHFFFAOYSA-N
XLogP8.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 58.10
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

1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine
CID 134298790
N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine
CID 89044940
2,3-di(propan-2-yl)-3H-pyrrole
CID 89447260
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,13,14,14a-dodecahydrocyclododeca[c]pyridine
CID 89994118
N-[(1E)-9-ethenylidene-3-methyl-8-methylidene-2-pent-4-en-2-ylpentadeca-1,14-dienyl]propan-2-imine
CID 123309160
N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine
CID 123762729
12,15-Dimethyl-13-azabicyclo[9.4.0]pentadeca-12,14-diene
CID 124196302
15,18-Dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene
CID 126615375
N-[(1Z)-buta-1,3-dienyl]-4-pentyldec-1-en-3-imine
CID 126626544
N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine
CID 126626575
2,3-Di(propan-2-yl)-3,4-dihydropyridine
CID 129014324
N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine
CID 129127582

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexadecylbut-1-enyl)propan-2-imine?
The IUPAC name of N-(3-cyclohexadecylbut-1-enyl)propan-2-imine (CID 123559343) is N-(3-cyclohexadecylbut-1-enyl)propan-2-imine.
What is the SMILES notation for N-(3-cyclohexadecylbut-1-enyl)propan-2-imine?
The canonical SMILES for N-(3-cyclohexadecylbut-1-enyl)propan-2-imine is CC(C)=NC=CC(C)C1CCCCCCCCCCCCCCC1.
What is the InChIKey of N-(3-cyclohexadecylbut-1-enyl)propan-2-imine?
The InChIKey is VYYTXVNSMGSXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N/c1-21(2)24-20-19-22(3)23-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23/h19-20,22-23H,4-18H2,1-3H3.
What are the key properties of N-(3-cyclohexadecylbut-1-enyl)propan-2-imine?
N-(3-cyclohexadecylbut-1-enyl)propan-2-imine has a molecular weight of 333.60 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexadecylbut-1-enyl)propan-2-imine is sourced from PubChem (CID 123559343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).