2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine

C16H27N — CID 103460399

IUPAC2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
SMILESCCC(C)(C)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27N/c1-6-16(4,5)12-17-15(13(2)3)14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3
InChIKeyANXMISBYKSYRPR-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.41
Rot. Bonds6

About 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine

2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine (PubChem CID 103460399) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
PubChem CID103460399
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
SMILESCCC(C)(C)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27N/c1-6-16(4,5)12-17-15(13(2)3)14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3
InChIKeyANXMISBYKSYRPR-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine (CID 103460399) is 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine is CCC(C)(C)CNC(c1ccccc1)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine?
The InChIKey is ANXMISBYKSYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(4,5)12-17-15(13(2)3)14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine?
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine is sourced from PubChem (CID 103460399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).