N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride

C14H22ClN — CID 173049052

IUPACN-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCN(Cc1ccccc1)C(C)(C)C.Cl
InChIInChI=1S/C14H21N.ClH/c1-5-11-15(14(2,3)4)12-13-9-7-6-8-10-13;/h5-10H,1,11-12H2,2-4H3;1H
InChIKeyJTFUFIIJCUZNNO-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.89
Rot. Bonds4

About N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride

N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride (PubChem CID 173049052) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
PubChem CID173049052
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCN(Cc1ccccc1)C(C)(C)C.Cl
InChIInChI=1S/C14H21N.ClH/c1-5-11-15(14(2,3)4)12-13-9-7-6-8-10-13;/h5-10H,1,11-12H2,2-4H3;1H
InChIKeyJTFUFIIJCUZNNO-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.89
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-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
2-bromo-5-[[tert-butyl(prop-2-enyl)amino]methyl]aniline
CID 114004050
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 134867312
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
sodium N-benzyl-N-prop-2-enylcarbamodithioate
CID 118484135
N-(2-phenoxyethoxymethyl)-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
CID 173423849
tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride (CID 173049052) is N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride is C=CCN(Cc1ccccc1)C(C)(C)C.Cl.
What is the InChIKey of N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The InChIKey is JTFUFIIJCUZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-5-11-15(14(2,3)4)12-13-9-7-6-8-10-13;/h5-10H,1,11-12H2,2-4H3;1H.
What are the key properties of N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride?
N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride is sourced from PubChem (CID 173049052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).