3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine

C16H27N — CID 113457713

IUPAC3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine
SMILESCC(C)C(NC(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-12(2)15(14-10-8-7-9-11-14)17-13(3)16(4,5)6/h7-13,15,17H,1-6H3
InChIKeyDBFMRTONEBVUEX-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.41
Rot. Bonds4

About 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine

3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine (PubChem CID 113457713) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine
PubChem CID113457713
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine
SMILESCC(C)C(NC(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-12(2)15(14-10-8-7-9-11-14)17-13(3)16(4,5)6/h7-13,15,17H,1-6H3
InChIKeyDBFMRTONEBVUEX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-(1,1-difluoropropan-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 102868420
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
N-but-3-en-2-yl-2-methyl-1-phenylpropan-1-amine
CID 115591753
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
(2S)-N-[(S)-dimethoxyphosphoryl(phenyl)methyl]-3,3-dimethylbutan-2-amine
CID 50924024
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine (CID 113457713) is 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine is CC(C)C(NC(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine?
The InChIKey is DBFMRTONEBVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)15(14-10-8-7-9-11-14)17-13(3)16(4,5)6/h7-13,15,17H,1-6H3.
What are the key properties of 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine?
3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine is sourced from PubChem (CID 113457713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).