N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine

C14H21N — CID 138519013

IUPACN-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-4-10-15(11-5-2)12-14-8-6-13(3)7-9-14/h4,6-9H,1,5,10-12H2,2-3H3
InChIKeyXPBVMOQHARPGPQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.39
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine

N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine (PubChem CID 138519013) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
PubChem CID138519013
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-4-10-15(11-5-2)12-14-8-6-13(3)7-9-14/h4,6-9H,1,5,10-12H2,2-3H3
InChIKeyXPBVMOQHARPGPQ-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.39
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-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 154621355
N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 135265211
4-[(4-methylphenyl)methyl-prop-2-enylamino]butanoic acid
CID 134701133
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 143498981
2,6-dichloro-4-[[prop-2-enyl(propyl)amino]methyl]aniline
CID 82841853
5-[5-[[(4-methylphenyl)methyl-propylamino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017678
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
CID 102771722
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
CID 83794067
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine (CID 138519013) is N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine is C=CCN(CCC)Cc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
The InChIKey is XPBVMOQHARPGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-10-15(11-5-2)12-14-8-6-13(3)7-9-14/h4,6-9H,1,5,10-12H2,2-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine?
N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 138519013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).