3-(4-tert-butylphenyl)pentan-3-amine

C15H25N — CID 60986945

IUPAC3-(4-tert-butylphenyl)pentan-3-amine
SMILESCCC(N)(CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-15(16,7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7,16H2,1-5H3
InChIKeyCWUWVMUVNZRTMQ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.96
Rot. Bonds3

About 3-(4-tert-butylphenyl)pentan-3-amine

3-(4-tert-butylphenyl)pentan-3-amine (PubChem CID 60986945) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)pentan-3-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)pentan-3-amine
PubChem CID60986945
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(4-tert-butylphenyl)pentan-3-amine
SMILESCCC(N)(CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-15(16,7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7,16H2,1-5H3
InChIKeyCWUWVMUVNZRTMQ-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-aminopentan-3-yl)phenol
CID 23621887
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
3-(4-tert-butylphenyl)-2-methylpentan-3-amine
CID 63408030
3-thiophen-3-ylpentan-3-amine
CID 65099925
3-phenylhexan-3-amine
CID 60794511
1-tert-butyl-4-ethylbenzene
CID 157359507
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
CID 138678165
3-[4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]pentan-3-amine
CID 118630726

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)pentan-3-amine?
The IUPAC name of 3-(4-tert-butylphenyl)pentan-3-amine (CID 60986945) is 3-(4-tert-butylphenyl)pentan-3-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)pentan-3-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)pentan-3-amine is CCC(N)(CC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)pentan-3-amine?
The InChIKey is CWUWVMUVNZRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-15(16,7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7,16H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)pentan-3-amine?
3-(4-tert-butylphenyl)pentan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)pentan-3-amine is sourced from PubChem (CID 60986945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).