5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine

C17H29N — CID 64719182

IUPAC5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(11-14(2)18-6)12-15-7-9-16(10-8-15)17(3,4)5/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyGOXRYPFZVRAHLT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.16
Rot. Bonds5

About 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine

5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine (PubChem CID 64719182) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
PubChem CID64719182
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(11-14(2)18-6)12-15-7-9-16(10-8-15)17(3,4)5/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyGOXRYPFZVRAHLT-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
CID 57303246
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84728944
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62599855
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
CID 142040255
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine (CID 64719182) is 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine is CNC(C)CC(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine?
The InChIKey is GOXRYPFZVRAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(11-14(2)18-6)12-15-7-9-16(10-8-15)17(3,4)5/h7-10,13-14,18H,11-12H2,1-6H3.
What are the key properties of 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine?
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 64719182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).