N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine

C15H23N — CID 106180105

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H23N/c1-11(2)6-7-16-14(5)15-9-12(3)8-13(4)10-15/h6,8-10,14,16H,7H2,1-5H3
InChIKeyFUOMWRTZDZBUOA-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine

N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine (PubChem CID 106180105) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
PubChem CID106180105
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H23N/c1-11(2)6-7-16-14(5)15-9-12(3)8-13(4)10-15/h6,8-10,14,16H,7H2,1-5H3
InChIKeyFUOMWRTZDZBUOA-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.92
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

3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
CID 106180416
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103578383
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
2-bromo-N-[1-(3,5-dimethylphenyl)ethyl]prop-2-en-1-amine
CID 115717133
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 107900149
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527856
4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 81343196
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
1-(3,5-dimethylphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 81300970
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]but-2-en-1-amine
CID 107899120

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine (CID 106180105) is N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine is CC(C)=CCNC(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine?
The InChIKey is FUOMWRTZDZBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)6-7-16-14(5)15-9-12(3)8-13(4)10-15/h6,8-10,14,16H,7H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine?
N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 106180105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).