1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine

C14H21N — CID 105005776

IUPAC1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21N/c1-5-10(2)8-14(15)13-7-6-11(3)12(4)9-13/h6-7,9,14H,2,5,8,15H2,1,3-4H3
InChIKeyGYLSZBDZGJGCLD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.66
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine

1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine (PubChem CID 105005776) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
PubChem CID105005776
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21N/c1-5-10(2)8-14(15)13-7-6-11(3)12(4)9-13/h6-7,9,14H,2,5,8,15H2,1,3-4H3
InChIKeyGYLSZBDZGJGCLD-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)-3-methylidenepentan-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

1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-amine
CID 66046502
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 105005965
1-(furan-3-yl)-3-methylidenepentan-1-amine
CID 66039477
3-methylidene-1-thiophen-3-ylpentan-1-amine
CID 66044101
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
(1S)-1-(3-methoxy-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 171225050
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
CID 105005843
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine (CID 105005776) is 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine?
The InChIKey is GYLSZBDZGJGCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-10(2)8-14(15)13-7-6-11(3)12(4)9-13/h6-7,9,14H,2,5,8,15H2,1,3-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine?
1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105005776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).