6-(4-tert-butylphenyl)-2-methylhexan-3-amine

C17H29N — CID 64504626

IUPAC6-(4-tert-butylphenyl)-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(2)16(18)8-6-7-14-9-11-15(12-10-14)17(3,4)5/h9-13,16H,6-8,18H2,1-5H3
InChIKeyQGMANTYEBPDHFV-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.29
Rot. Bonds5

About 6-(4-tert-butylphenyl)-2-methylhexan-3-amine

6-(4-tert-butylphenyl)-2-methylhexan-3-amine (PubChem CID 64504626) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-2-methylhexan-3-amine
PubChem CID64504626
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name6-(4-tert-butylphenyl)-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-13(2)16(18)8-6-7-14-9-11-15(12-10-14)17(3,4)5/h9-13,16H,6-8,18H2,1-5H3
InChIKeyQGMANTYEBPDHFV-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-iodophenyl)-2-methylhexan-3-amine
CID 65489366
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
1-(4-bromo-5,5-dimethylhexyl)-4-tert-butylbenzene
CID 64509236
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
1-tert-butyl-4-undecylbenzene
CID 162402478
6-(2,5-diethylphenyl)-2-methylhexan-3-amine
CID 83920903
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736
1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
CID 64665458
4-(4-tert-butylphenyl)butanamide
CID 20619639
4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
CID 19885160
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-2-methylhexan-3-amine (CID 64504626) is 6-(4-tert-butylphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-2-methylhexan-3-amine is CC(C)C(N)CCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-2-methylhexan-3-amine?
The InChIKey is QGMANTYEBPDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)16(18)8-6-7-14-9-11-15(12-10-14)17(3,4)5/h9-13,16H,6-8,18H2,1-5H3.
What are the key properties of 6-(4-tert-butylphenyl)-2-methylhexan-3-amine?
6-(4-tert-butylphenyl)-2-methylhexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 64504626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).