N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine

C30H57N — CID 143786755

IUPACN-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine
SMILESC=CCC(CCC(C)CCCCC(C)(C)CCC(C)CC1C(C)CCCC1(C)C)N=C
InChIInChI=1S/C30H57N/c1-10-14-27(31-9)18-17-24(2)15-11-12-20-29(5,6)22-19-25(3)23-28-26(4)16-13-21-30(28,7)8/h10,24-28H,1,9,11-23H2,2-8H3
InChIKeyZCIHAFWJOPFHEK-UHFFFAOYSA-N
MW431.79 g/mol
LogP9.90
Rot. Bonds16

About N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine

N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine (PubChem CID 143786755) has the molecular formula C30H57N and a molecular weight of 431.79 g/mol. Its IUPAC name is N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine.

Molecular Properties

Compound NameN-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine
PubChem CID143786755
Molecular FormulaC30H57N
Molecular Weight431.79 g/mol
Exact Mass431.45
IUPAC NameN-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine
SMILESC=CCC(CCC(C)CCCCC(C)(C)CCC(C)CC1C(C)CCCC1(C)C)N=C
InChIInChI=1S/C30H57N/c1-10-14-27(31-9)18-17-24(2)15-11-12-20-29(5,6)22-19-25(3)23-28-26(4)16-13-21-30(28,7)8/h10,24-28H,1,9,11-23H2,2-8H3
InChIKeyZCIHAFWJOPFHEK-UHFFFAOYSA-N
XLogP9.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.79
LogP ≤ 59.90
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(2R,3S)-1,1,3-trimethyl-2-[(3S,7R,12S,16S)-3,7,12,16-tetramethyl-18-[(1R,6S)-2,2,6-trimethylcyclohexyl]octadecyl]cyclohexane
CID 162940926
2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
CID 71374334
2-but-3-enyl-1,1,3-trimethylcyclohexane
CID 91050583
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexyl)octadecyl]cyclohexan-1-ol
CID 70877793
cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
but-1-ene;1,1,2,3-tetramethylcyclohexane
CID 142112432
4,4,7-trimethylundec-1-ene
CID 143332601
1-[(1S)-2,2,6-trimethylcyclohexyl]heptan-3-ol;1-(2,2,6-trimethylcyclohexyl)heptan-3-ol
CID 157202478
7,7,10-trimethylundec-1-ene
CID 173422023
2-methyl-1-(5-methyloct-7-enyl)piperidine
CID 123555943
4,4,7-trimethyldodecane
CID 91411996
3,7-dimethyl-N-[3-[2-[2-[3-(4-oxobutanoylamino)propoxy]ethoxy]ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide
CID 139473592

Frequently Asked Questions

What is the IUPAC name of N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine?
The IUPAC name of N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine (CID 143786755) is N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine.
What is the SMILES notation for N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine?
The canonical SMILES for N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine is C=CCC(CCC(C)CCCCC(C)(C)CCC(C)CC1C(C)CCCC1(C)C)N=C.
What is the InChIKey of N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine?
The InChIKey is ZCIHAFWJOPFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N/c1-10-14-27(31-9)18-17-24(2)15-11-12-20-29(5,6)22-19-25(3)23-28-26(4)16-13-21-30(28,7)8/h10,24-28H,1,9,11-23H2,2-8H3.
What are the key properties of N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine?
N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine has a molecular weight of 431.79 g/mol, XLogP of 9.90, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,12,12,15-tetramethyl-16-(2,2,6-trimethylcyclohexyl)hexadec-1-en-4-yl]methanimine is sourced from PubChem (CID 143786755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).