N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine

C15H23N — CID 135265211

IUPACN-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23N/c1-5-9-16(10-6-2)12-15-11-13(3)7-8-14(15)4/h5,7-8,11H,1,6,9-10,12H2,2-4H3
InChIKeyFGKGDKOUDILBBN-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.70
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine

N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine (PubChem CID 135265211) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
PubChem CID135265211
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23N/c1-5-9-16(10-6-2)12-15-11-13(3)7-8-14(15)4/h5,7-8,11H,1,6,9-10,12H2,2-4H3
InChIKeyFGKGDKOUDILBBN-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
2-[(2,5-dimethylphenyl)methyl-prop-2-enylamino]acetic acid
CID 79277476
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
CID 102771722
N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 143498981
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
3-[(2,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 61481727
2,6-dichloro-4-[[prop-2-enyl(propyl)amino]methyl]aniline
CID 82841853

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine (CID 135265211) is N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine is C=CCN(CCC)Cc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The InChIKey is FGKGDKOUDILBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-9-16(10-6-2)12-15-11-13(3)7-8-14(15)4/h5,7-8,11H,1,6,9-10,12H2,2-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 135265211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).