(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine

C13H19N — CID 131096191

IUPAC(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cc(C)cc(C)c1
InChIInChI=1S/C13H19N/c1-9(2)5-13(14)12-7-10(3)6-11(4)8-12/h6-8,13H,1,5,14H2,2-4H3/t13-/m1/s1
InChIKeyUHABQGFGEKDJOJ-CYBMUJFWSA-N
MW189.30 g/mol
LogP3.27
Rot. Bonds3

About (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine

(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine (PubChem CID 131096191) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
PubChem CID131096191
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cc(C)cc(C)c1
InChIInChI=1S/C13H19N/c1-9(2)5-13(14)12-7-10(3)6-11(4)8-12/h6-8,13H,1,5,14H2,2-4H3/t13-/m1/s1
InChIKeyUHABQGFGEKDJOJ-CYBMUJFWSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-methyl-1-(4-methylphenyl)but-3-en-1-amine
CID 130989094
4-[(1R)-1-amino-3-methylbut-3-enyl]-2,6-dimethylphenol;hydrochloride
CID 171205077
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
(1S)-1-(3,5-dichlorophenyl)-3-methylbut-3-en-1-amine
CID 130817353
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine
CID 171198597
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate
CID 78974740
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate;hydrochloride
CID 171221735

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine?
The IUPAC name of (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine (CID 131096191) is (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine is C=C(C)C[C@@H](N)c1cc(C)cc(C)c1.
What is the InChIKey of (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine?
The InChIKey is UHABQGFGEKDJOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)5-13(14)12-7-10(3)6-11(4)8-12/h6-8,13H,1,5,14H2,2-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine?
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 131096191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).