2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine

C15H23N — CID 138750181

IUPAC2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine
SMILESC=C(C)CC(CN)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23N/c1-11(2)7-14(10-16)9-15-8-12(3)5-6-13(15)4/h5-6,8,14H,1,7,9-10,16H2,2-4H3
InChIKeyUFTZXOJUDBKDGZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.39
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine

2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine (PubChem CID 138750181) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine
PubChem CID138750181
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine
SMILESC=C(C)CC(CN)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23N/c1-11(2)7-14(10-16)9-15-8-12(3)5-6-13(15)4/h5-6,8,14H,1,7,9-10,16H2,2-4H3
InChIKeyUFTZXOJUDBKDGZ-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.39
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

2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
CID 66040940
[2-(2,5-dimethylphenyl)-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 67137581
3-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 82351078
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
CID 83928161
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine (CID 138750181) is 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine is C=C(C)CC(CN)Cc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine?
The InChIKey is UFTZXOJUDBKDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)7-14(10-16)9-15-8-12(3)5-6-13(15)4/h5-6,8,14H,1,7,9-10,16H2,2-4H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine?
2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine is sourced from PubChem (CID 138750181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).