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

C17H29N — CID 107876458

IUPAC2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
SMILESCCC(C)(C)CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-6-17(4,5)13-18-12-16(14(2)3)15-10-8-7-9-11-15/h7-11,14,16,18H,6,12-13H2,1-5H3
InChIKeyDBHRJXXHBDVERU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.45
Rot. Bonds7

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

2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine (PubChem CID 107876458) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
PubChem CID107876458
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
SMILESCCC(C)(C)CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-6-17(4,5)13-18-12-16(14(2)3)15-10-8-7-9-11-15/h7-11,14,16,18H,6,12-13H2,1-5H3
InChIKeyDBHRJXXHBDVERU-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol
CID 107876200
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 107876430
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876331

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine (CID 107876458) is 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine is CCC(C)(C)CNCC(c1ccccc1)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine?
The InChIKey is DBHRJXXHBDVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-17(4,5)13-18-12-16(14(2)3)15-10-8-7-9-11-15/h7-11,14,16,18H,6,12-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine?
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.45, 7 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)butan-1-amine is sourced from PubChem (CID 107876458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).