2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine

C16H27N — CID 63504197

IUPAC2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)(C)CC
InChIInChI=1S/C16H27N/c1-6-12-17-15(16(4,5)7-2)14-10-8-13(3)9-11-14/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyVYURLQUEZWMDEA-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.47
Rot. Bonds6

About 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine

2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine (PubChem CID 63504197) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
PubChem CID63504197
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)(C)CC
InChIInChI=1S/C16H27N/c1-6-12-17-15(16(4,5)7-2)14-10-8-13(3)9-11-14/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyVYURLQUEZWMDEA-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine (CID 63504197) is 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine is CCCNC(c1ccc(C)cc1)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is VYURLQUEZWMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-12-17-15(16(4,5)7-2)14-10-8-13(3)9-11-14/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine?
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 63504197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).