N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine

C27H47N — CID 123723596

IUPACN-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN(C)C1CCCCC1
InChIInChI=1S/C27H47N/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)21-22-28(6)27-19-8-7-9-20-27/h13,15,17,21,27H,7-12,14,16,18-20,22H2,1-6H3
InChIKeyWUBAGWUVXPCHFF-UHFFFAOYSA-N
MW385.68 g/mol
LogP8.40
Rot. Bonds12

About N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine

N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine (PubChem CID 123723596) has the molecular formula C27H47N and a molecular weight of 385.68 g/mol. Its IUPAC name is N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine
PubChem CID123723596
Molecular FormulaC27H47N
Molecular Weight385.68 g/mol
Exact Mass385.37
IUPAC NameN-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN(C)C1CCCCC1
InChIInChI=1S/C27H47N/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)21-22-28(6)27-19-8-7-9-20-27/h13,15,17,21,27H,7-12,14,16,18-20,22H2,1-6H3
InChIKeyWUBAGWUVXPCHFF-UHFFFAOYSA-N
XLogP8.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine (CID 123723596) is N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine?
The InChIKey is WUBAGWUVXPCHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-26(5)21-22-28(6)27-19-8-7-9-20-27/h13,15,17,21,27H,7-12,14,16,18-20,22H2,1-6H3.
What are the key properties of N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine?
N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine has a molecular weight of 385.68 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine is sourced from PubChem (CID 123723596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).