1-(4-tert-butylphenyl)-3-methylpentan-1-amine

C16H27N — CID 114874175

IUPAC1-(4-tert-butylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-12(2)11-15(17)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,15H,6,11,17H2,1-5H3
InChIKeyOCRGMUYNKUPSQT-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-methylpentan-1-amine

1-(4-tert-butylphenyl)-3-methylpentan-1-amine (PubChem CID 114874175) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methylpentan-1-amine
PubChem CID114874175
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(4-tert-butylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-12(2)11-15(17)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,15H,6,11,17H2,1-5H3
InChIKeyOCRGMUYNKUPSQT-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide
CID 66259950
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
1-(4-tert-butylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275444
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
CID 43138780
1-(4-tert-butylphenyl)but-3-en-1-amine
CID 112693451
3-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 115827442

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methylpentan-1-amine (CID 114874175) is 1-(4-tert-butylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methylpentan-1-amine is CCC(C)CC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methylpentan-1-amine?
The InChIKey is OCRGMUYNKUPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-12(2)11-15(17)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,15H,6,11,17H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-methylpentan-1-amine?
1-(4-tert-butylphenyl)-3-methylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 114874175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).