N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine

C27H51N — CID 91398532

IUPACN-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine
SMILESC=C1CC(NCCC(C)CC(C)CCCCCC(C)(CC)CC)C(=C)C1(C)C
InChIInChI=1S/C27H51N/c1-10-27(9,11-2)17-14-12-13-15-21(3)19-22(4)16-18-28-25-20-23(5)26(7,8)24(25)6/h21-22,25,28H,5-6,10-20H2,1-4,7-9H3
InChIKeyPXTGOMPIKLNRGK-UHFFFAOYSA-N
MW389.71 g/mol
LogP8.32
Rot. Bonds14

About N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine

N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine (PubChem CID 91398532) has the molecular formula C27H51N and a molecular weight of 389.71 g/mol. Its IUPAC name is N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine.

Molecular Properties

Compound NameN-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine
PubChem CID91398532
Molecular FormulaC27H51N
Molecular Weight389.71 g/mol
Exact Mass389.40
IUPAC NameN-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine
SMILESC=C1CC(NCCC(C)CC(C)CCCCCC(C)(CC)CC)C(=C)C1(C)C
InChIInChI=1S/C27H51N/c1-10-27(9,11-2)17-14-12-13-15-21(3)19-22(4)16-18-28-25-20-23(5)26(7,8)24(25)6/h21-22,25,28H,5-6,10-20H2,1-4,7-9H3
InChIKeyPXTGOMPIKLNRGK-UHFFFAOYSA-N
XLogP8.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.71
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine?
The IUPAC name of N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine (CID 91398532) is N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine.
What is the SMILES notation for N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine?
The canonical SMILES for N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine is C=C1CC(NCCC(C)CC(C)CCCCCC(C)(CC)CC)C(=C)C1(C)C.
What is the InChIKey of N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine?
The InChIKey is PXTGOMPIKLNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N/c1-10-27(9,11-2)17-14-12-13-15-21(3)19-22(4)16-18-28-25-20-23(5)26(7,8)24(25)6/h21-22,25,28H,5-6,10-20H2,1-4,7-9H3.
What are the key properties of N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine?
N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine has a molecular weight of 389.71 g/mol, XLogP of 8.32, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-ethyl-3,5,11-trimethyltridecyl)-3,3-dimethyl-2,4-dimethylidenecyclopentan-1-amine is sourced from PubChem (CID 91398532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).