N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine

C20H35N — CID 63421587

IUPACN-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-16(2)11-10-12-17(3)21-19(15-20(4,5)6)18-13-8-7-9-14-18/h7-9,13-14,16-17,19,21H,10-12,15H2,1-6H3
InChIKeyCHACBPHSBOFPJE-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.97
Rot. Bonds8

About N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine

N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine (PubChem CID 63421587) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
PubChem CID63421587
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-16(2)11-10-12-17(3)21-19(15-20(4,5)6)18-13-8-7-9-14-18/h7-9,13-14,16-17,19,21H,10-12,15H2,1-6H3
InChIKeyCHACBPHSBOFPJE-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
CID 43711889
N-(1-phenylpentyl)octan-2-amine
CID 43791089
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 106209318
3-[(3,3-dimethyl-1-phenylbutyl)amino]-2-methylsulfanylbutan-1-ol
CID 103921481
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
CID 43781317
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971551
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine (CID 63421587) is N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine is CC(C)CCCC(C)NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine?
The InChIKey is CHACBPHSBOFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-16(2)11-10-12-17(3)21-19(15-20(4,5)6)18-13-8-7-9-14-18/h7-9,13-14,16-17,19,21H,10-12,15H2,1-6H3.
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine?
N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine is sourced from PubChem (CID 63421587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).