3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine

C15H23N — CID 166925324

IUPAC3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23N/c1-12(2)16-14(15(3,4)5)11-13-9-7-6-8-10-13/h6-10,14,16H,1,11H2,2-5H3
InChIKeyQMNVRJUGPFGGNW-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.77
Rot. Bonds4

About 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine

3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine (PubChem CID 166925324) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine
PubChem CID166925324
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H23N/c1-12(2)16-14(15(3,4)5)11-13-9-7-6-8-10-13/h6-10,14,16H,1,11H2,2-5H3
InChIKeyQMNVRJUGPFGGNW-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]-2-methylpropanamide;3-methylbutan-2-one
CID 158654008
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
1-[(2R,6R)-2,6-dimethyloxan-4-yl]-3-[(2R)-3,3-dimethyl-1-phenylbutan-2-yl]urea
CID 98875017
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
CID 111422968
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea
CID 97317222
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
2,3-dimethylbutylbenzene
CID 12054035
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
CID 61162163

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine (CID 166925324) is 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine is C=C(C)NC(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine?
The InChIKey is QMNVRJUGPFGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)16-14(15(3,4)5)11-13-9-7-6-8-10-13/h6-10,14,16H,1,11H2,2-5H3.
What are the key properties of 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine?
3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-N-prop-1-en-2-ylbutan-2-amine is sourced from PubChem (CID 166925324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).