6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine

C19H31N — CID 134331700

IUPAC6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine
SMILESCCC(N)(CCCC1CCC1)C(C)(C)c1ccccc1
InChIInChI=1S/C19H31N/c1-4-19(20,15-9-12-16-10-8-11-16)18(2,3)17-13-6-5-7-14-17/h5-7,13-14,16H,4,8-12,15,20H2,1-3H3
InChIKeyBBUOIAFIDHDBPW-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.04
Rot. Bonds7

About 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine

6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine (PubChem CID 134331700) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine.

Molecular Properties

Compound Name6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine
PubChem CID134331700
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine
SMILESCCC(N)(CCCC1CCC1)C(C)(C)c1ccccc1
InChIInChI=1S/C19H31N/c1-4-19(20,15-9-12-16-10-8-11-16)18(2,3)17-13-6-5-7-14-17/h5-7,13-14,16H,4,8-12,15,20H2,1-3H3
InChIKeyBBUOIAFIDHDBPW-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
CID 57172293
2-(7-cyclopropyl-4-methyl-4-phenylheptyl)oxirane
CID 146482470
1-cyclobutyl-3-methylpentan-3-amine
CID 131227584
4-amino-1-cyclohexyl-4-phenylpentan-3-one
CID 114193549
2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine
CID 87973707
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride
CID 68721726
(2S)-2-phenylhexan-2-amine
CID 10889241
1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
CID 65041408
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine?
The IUPAC name of 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine (CID 134331700) is 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine.
What is the SMILES notation for 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine?
The canonical SMILES for 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine is CCC(N)(CCCC1CCC1)C(C)(C)c1ccccc1.
What is the InChIKey of 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine?
The InChIKey is BBUOIAFIDHDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-19(20,15-9-12-16-10-8-11-16)18(2,3)17-13-6-5-7-14-17/h5-7,13-14,16H,4,8-12,15,20H2,1-3H3.
What are the key properties of 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine?
6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine has a molecular weight of 273.46 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine is sourced from PubChem (CID 134331700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).