N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine

C18H29N — CID 139446991

IUPACN-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine
SMILESC=CCCC(CCc1cc(C)c(C)cc1C)CNC
InChIInChI=1S/C18H29N/c1-6-7-8-17(13-19-5)9-10-18-12-15(3)14(2)11-16(18)4/h6,11-12,17,19H,1,7-10,13H2,2-5H3
InChIKeyFHBRHMJMMAYYMF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.35
Rot. Bonds8

About N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine

N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine (PubChem CID 139446991) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine
PubChem CID139446991
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine
SMILESC=CCCC(CCc1cc(C)c(C)cc1C)CNC
InChIInChI=1S/C18H29N/c1-6-7-8-17(13-19-5)9-10-18-12-15(3)14(2)11-16(18)4/h6,11-12,17,19H,1,7-10,13H2,2-5H3
InChIKeyFHBRHMJMMAYYMF-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-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

Related Compounds

Nortriptyline
CID 4543
Protriptyline
CID 4976
Protriptyline Hydrochloride
CID 6603149
Terodiline
CID 23480
N-Methylbenzeneethanamine
CID 11503
Dehydroabietylamine
CID 62034
Phenpromethamine
CID 22276
2,5-Dimethylbenzeneethanamine
CID 211415
Norcyclobenzaprine
CID 9918
Enefexine
CID 208916
Phenpromethamine hydrochloride
CID 22275
Abieta-8,11,13-trien-18-amine
CID 106831

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine?
The IUPAC name of N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine (CID 139446991) is N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine.
What is the SMILES notation for N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine?
The canonical SMILES for N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine is C=CCCC(CCc1cc(C)c(C)cc1C)CNC.
What is the InChIKey of N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine?
The InChIKey is FHBRHMJMMAYYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-6-7-8-17(13-19-5)9-10-18-12-15(3)14(2)11-16(18)4/h6,11-12,17,19H,1,7-10,13H2,2-5H3.
What are the key properties of N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine?
N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine is sourced from PubChem (CID 139446991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).