6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine

C17H35N — CID 90804437

IUPAC6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine
SMILESC=CC(C)(C(C)CCCCNC)C(CC)C(C)C
InChIInChI=1S/C17H35N/c1-8-16(14(3)4)17(6,9-2)15(5)12-10-11-13-18-7/h9,14-16,18H,2,8,10-13H2,1,3-7H3
InChIKeyPOGVKVQUOSLFJH-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.89
Rot. Bonds10

About 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine

6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine (PubChem CID 90804437) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine.

Molecular Properties

Compound Name6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine
PubChem CID90804437
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine
SMILESC=CC(C)(C(C)CCCCNC)C(CC)C(C)C
InChIInChI=1S/C17H35N/c1-8-16(14(3)4)17(6,9-2)15(5)12-10-11-13-18-7/h9,14-16,18H,2,8,10-13H2,1,3-7H3
InChIKeyPOGVKVQUOSLFJH-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.89
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'}

Analyze 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine?
The IUPAC name of 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine (CID 90804437) is 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine.
What is the SMILES notation for 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine?
The canonical SMILES for 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine is C=CC(C)(C(C)CCCCNC)C(CC)C(C)C.
What is the InChIKey of 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine?
The InChIKey is POGVKVQUOSLFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-16(14(3)4)17(6,9-2)15(5)12-10-11-13-18-7/h9,14-16,18H,2,8,10-13H2,1,3-7H3.
What are the key properties of 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine?
6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine is sourced from PubChem (CID 90804437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).