5-(3-tert-butylphenyl)-2-methylpentan-2-amine

C16H27N — CID 70645538

IUPAC5-(3-tert-butylphenyl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-15(2,3)14-10-6-8-13(12-14)9-7-11-16(4,5)17/h6,8,10,12H,7,9,11,17H2,1-5H3
InChIKeyAZZFMLSCJPXDGN-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.04
Rot. Bonds4

About 5-(3-tert-butylphenyl)-2-methylpentan-2-amine

5-(3-tert-butylphenyl)-2-methylpentan-2-amine (PubChem CID 70645538) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2-methylpentan-2-amine
PubChem CID70645538
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-(3-tert-butylphenyl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-15(2,3)14-10-6-8-13(12-14)9-7-11-16(4,5)17/h6,8,10,12H,7,9,11,17H2,1-5H3
InChIKeyAZZFMLSCJPXDGN-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-2-methylpentan-2-amine?
The IUPAC name of 5-(3-tert-butylphenyl)-2-methylpentan-2-amine (CID 70645538) is 5-(3-tert-butylphenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2-methylpentan-2-amine?
The canonical SMILES for 5-(3-tert-butylphenyl)-2-methylpentan-2-amine is CC(C)(N)CCCc1cccc(C(C)(C)C)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-2-methylpentan-2-amine?
The InChIKey is AZZFMLSCJPXDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-15(2,3)14-10-6-8-13(12-14)9-7-11-16(4,5)17/h6,8,10,12H,7,9,11,17H2,1-5H3.
What are the key properties of 5-(3-tert-butylphenyl)-2-methylpentan-2-amine?
5-(3-tert-butylphenyl)-2-methylpentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 70645538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).