N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine

C28H51N — CID 123377784

IUPACN-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)C(C)CN(C)C1CCCCC1
InChIInChI=1S/C28H51N/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)27(6)22-29(7)28-20-9-8-10-21-28/h14,16,18,26-28H,8-13,15,17,19-22H2,1-7H3
InChIKeyYNTBAQGEDWRREY-UHFFFAOYSA-N
MW401.72 g/mol
LogP8.72
Rot. Bonds13

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

N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine (PubChem CID 123377784) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine
PubChem CID123377784
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC NameN-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)C(C)CN(C)C1CCCCC1
InChIInChI=1S/C28H51N/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)27(6)22-29(7)28-20-9-8-10-21-28/h14,16,18,26-28H,8-13,15,17,19-22H2,1-7H3
InChIKeyYNTBAQGEDWRREY-UHFFFAOYSA-N
XLogP8.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 58.72
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-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine (CID 123377784) is N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)C(C)CN(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine?
The InChIKey is YNTBAQGEDWRREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)27(6)22-29(7)28-20-9-8-10-21-28/h14,16,18,26-28H,8-13,15,17,19-22H2,1-7H3.
What are the key properties of N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine?
N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine has a molecular weight of 401.72 g/mol, XLogP of 8.72, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,7,11,15-pentamethylhexadeca-6,10,14-trienyl)cyclohexanamine is sourced from PubChem (CID 123377784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).