2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine

C20H35N — CID 63438592

IUPAC2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-15(2)12-19(13-16(3)4)21-20(14-17(5)6)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3
InChIKeyFZNJTOUYPKSOBU-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.82
Rot. Bonds9

About 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine

2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine (PubChem CID 63438592) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
PubChem CID63438592
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-15(2)12-19(13-16(3)4)21-20(14-17(5)6)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3
InChIKeyFZNJTOUYPKSOBU-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 81348350
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
3-methyl-N-pent-4-yn-2-yl-1-phenylbutan-1-amine
CID 113250291
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 81403421
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1-phenylbutan-1-amine
CID 65047919
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
CID 43711889
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine (CID 63438592) is 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine is CC(C)CC(CC(C)C)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine?
The InChIKey is FZNJTOUYPKSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-15(2)12-19(13-16(3)4)21-20(14-17(5)6)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3.
What are the key properties of 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine?
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine has a molecular weight of 289.51 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine is sourced from PubChem (CID 63438592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).