N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide

C27H50N2O — CID 167130866

IUPACN-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide
SMILESC=C(CC(=C)C(C)(C)C)NCCCCCCCCNC(=O)CCCC(=C)C(C)(C)C
InChIInChI=1S/C27H50N2O/c1-22(26(4,5)6)17-16-18-25(30)29-20-15-13-11-10-12-14-19-28-24(3)21-23(2)27(7,8)9/h28H,1-3,10-21H2,4-9H3,(H,29,30)
InChIKeyKKFPSYMIWCEDGD-UHFFFAOYSA-N
MW418.71 g/mol
LogP7.31
Rot. Bonds16

About N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide

N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide (PubChem CID 167130866) has the molecular formula C27H50N2O and a molecular weight of 418.71 g/mol. Its IUPAC name is N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide.

Molecular Properties

Compound NameN-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide
PubChem CID167130866
Molecular FormulaC27H50N2O
Molecular Weight418.71 g/mol
Exact Mass418.39
IUPAC NameN-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide
SMILESC=C(CC(=C)C(C)(C)C)NCCCCCCCCNC(=O)CCCC(=C)C(C)(C)C
InChIInChI=1S/C27H50N2O/c1-22(26(4,5)6)17-16-18-25(30)29-20-15-13-11-10-12-14-19-28-24(3)21-23(2)27(7,8)9/h28H,1-3,10-21H2,4-9H3,(H,29,30)
InChIKeyKKFPSYMIWCEDGD-UHFFFAOYSA-N
XLogP7.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.71
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide?
The IUPAC name of N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide (CID 167130866) is N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide.
What is the SMILES notation for N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide?
The canonical SMILES for N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide is C=C(CC(=C)C(C)(C)C)NCCCCCCCCNC(=O)CCCC(=C)C(C)(C)C.
What is the InChIKey of N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide?
The InChIKey is KKFPSYMIWCEDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O/c1-22(26(4,5)6)17-16-18-25(30)29-20-15-13-11-10-12-14-19-28-24(3)21-23(2)27(7,8)9/h28H,1-3,10-21H2,4-9H3,(H,29,30).
What are the key properties of N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide?
N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide has a molecular weight of 418.71 g/mol, XLogP of 7.31, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(5,5-dimethyl-4-methylidenehex-1-en-2-yl)amino]octyl]-6,6-dimethyl-5-methylideneheptanamide is sourced from PubChem (CID 167130866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).