N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine

C15H23N — CID 105163729

IUPACN-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine
SMILESC=C(C)C(CCc1ccc(C)cc1)NCC
InChIInChI=1S/C15H23N/c1-5-16-15(12(2)3)11-10-14-8-6-13(4)7-9-14/h6-9,15-16H,2,5,10-11H2,1,3-4H3
InChIKeyORGHNJHRGWHZAC-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine

N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine (PubChem CID 105163729) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine
PubChem CID105163729
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine
SMILESC=C(C)C(CCc1ccc(C)cc1)NCC
InChIInChI=1S/C15H23N/c1-5-16-15(12(2)3)11-10-14-8-6-13(4)7-9-14/h6-9,15-16H,2,5,10-11H2,1,3-4H3
InChIKeyORGHNJHRGWHZAC-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-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

N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
[2-methyl-5-(4-methylphenyl)pent-1-en-3-yl]hydrazine
CID 105319999
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
N-ethyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105112477
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105076952
1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
5-methylidene-1-(4-methylphenyl)heptan-3-amine
CID 105164109
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine?
The IUPAC name of N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine (CID 105163729) is N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine?
The canonical SMILES for N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine is C=C(C)C(CCc1ccc(C)cc1)NCC.
What is the InChIKey of N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine?
The InChIKey is ORGHNJHRGWHZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-16-15(12(2)3)11-10-14-8-6-13(4)7-9-14/h6-9,15-16H,2,5,10-11H2,1,3-4H3.
What are the key properties of N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine?
N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine has a molecular weight of 217.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine is sourced from PubChem (CID 105163729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).