2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine

C20H35N — CID 107887144

IUPAC2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine
SMILESCCCC(C)C(CNC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H35N/c1-8-9-16(4)19(14-21-15(2)3)17-10-12-18(13-11-17)20(5,6)7/h10-13,15-16,19,21H,8-9,14H2,1-7H3
InChIKeyKBVRKVBSTWTTTC-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.50
Rot. Bonds7

About 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine

2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 107887144) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine
PubChem CID107887144
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine
SMILESCCCC(C)C(CNC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H35N/c1-8-9-16(4)19(14-21-15(2)3)17-10-12-18(13-11-17)20(5,6)7/h10-13,15-16,19,21H,8-9,14H2,1-7H3
InChIKeyKBVRKVBSTWTTTC-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
CID 107887241
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
3-(4-tert-butylphenyl)-N-propylbutan-1-amine
CID 81020319
1-tert-butyl-4-hept-1-yn-4-ylbenzene
CID 83928759
N-[1-(4-tert-butylphenyl)ethyl]hex-1-yn-3-amine
CID 106226028
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine
CID 113473075
1-chloro-4-(1-chloro-3-methylhexan-2-yl)benzene
CID 107893267
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine (CID 107887144) is 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine is CCCC(C)C(CNC(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is KBVRKVBSTWTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-8-9-16(4)19(14-21-15(2)3)17-10-12-18(13-11-17)20(5,6)7/h10-13,15-16,19,21H,8-9,14H2,1-7H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine?
2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107887144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).