2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine

C16H25N — CID 107876110

IUPAC2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
SMILESCC(C)C(CNC1CC1(C)C)c1ccccc1
InChIInChI=1S/C16H25N/c1-12(2)14(13-8-6-5-7-9-13)11-17-15-10-16(15,3)4/h5-9,12,14-15,17H,10-11H2,1-4H3
InChIKeyPZBWNJNIMNECQD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.81
Rot. Bonds5

About 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine

2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine (PubChem CID 107876110) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
PubChem CID107876110
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
SMILESCC(C)C(CNC1CC1(C)C)c1ccccc1
InChIInChI=1S/C16H25N/c1-12(2)14(13-8-6-5-7-9-13)11-17-15-10-16(15,3)4/h5-9,12,14-15,17H,10-11H2,1-4H3
InChIKeyPZBWNJNIMNECQD-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine
CID 107876354
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
CID 107876214

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine (CID 107876110) is 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine is CC(C)C(CNC1CC1(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine?
The InChIKey is PZBWNJNIMNECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)14(13-8-6-5-7-9-13)11-17-15-10-16(15,3)4/h5-9,12,14-15,17H,10-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine?
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine is sourced from PubChem (CID 107876110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).