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

C15H25N — CID 66582210

IUPAC4-(3-tert-butylphenyl)pentan-1-amine
SMILESCC(CCCN)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-12(7-6-10-16)13-8-5-9-14(11-13)15(2,3)4/h5,8-9,11-12H,6-7,10,16H2,1-4H3
InChIKeyGKYLUGLDCTXFCE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.83
Rot. Bonds4

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

4-(3-tert-butylphenyl)pentan-1-amine (PubChem CID 66582210) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)pentan-1-amine
PubChem CID66582210
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-(3-tert-butylphenyl)pentan-1-amine
SMILESCC(CCCN)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-12(7-6-10-16)13-8-5-9-14(11-13)15(2,3)4/h5,8-9,11-12H,6-7,10,16H2,1-4H3
InChIKeyGKYLUGLDCTXFCE-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 23527699
CID 23527699
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
2-(3-tert-butylphenyl)propyl-dimethylsilane
CID 157076830
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
1-tert-butyl-3-[5-(2-chlorophenyl)-5-methylhexan-2-yl]benzene
CID 166901026
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
CID 117320874
5-[3-(3-aminopropyl)phenyl]hexanamide
CID 91188909
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)pentan-1-amine?
The IUPAC name of 4-(3-tert-butylphenyl)pentan-1-amine (CID 66582210) is 4-(3-tert-butylphenyl)pentan-1-amine.
What is the SMILES notation for 4-(3-tert-butylphenyl)pentan-1-amine?
The canonical SMILES for 4-(3-tert-butylphenyl)pentan-1-amine is CC(CCCN)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butylphenyl)pentan-1-amine?
The InChIKey is GKYLUGLDCTXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(7-6-10-16)13-8-5-9-14(11-13)15(2,3)4/h5,8-9,11-12H,6-7,10,16H2,1-4H3.
What are the key properties of 4-(3-tert-butylphenyl)pentan-1-amine?
4-(3-tert-butylphenyl)pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)pentan-1-amine is sourced from PubChem (CID 66582210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).