3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine

C16H27N — CID 65300566

IUPAC3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
SMILESCCCc1ccc(CCC(C)(C)CCN)cc1
InChIInChI=1S/C16H27N/c1-4-5-14-6-8-15(9-7-14)10-11-16(2,3)12-13-17/h6-9H,4-5,10-13,17H2,1-3H3
InChIKeyVKLQKWPLPVPGLI-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds7

About 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine

3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine (PubChem CID 65300566) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
PubChem CID65300566
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
SMILESCCCc1ccc(CCC(C)(C)CCN)cc1
InChIInChI=1S/C16H27N/c1-4-5-14-6-8-15(9-7-14)10-11-16(2,3)12-13-17/h6-9H,4-5,10-13,17H2,1-3H3
InChIKeyVKLQKWPLPVPGLI-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
CID 65300733
5-(3-bromo-4-propoxyphenyl)-3,3-dimethylpentan-1-amine
CID 104662970
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
6-(4-propylphenyl)hexan-1-amine
CID 65300510
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
3-methyl-1-N-[(4-propylphenyl)methyl]butane-1,3-diamine
CID 115200583
3-methyl-3-(4-propylanilino)butan-1-ol
CID 115133797

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine?
The IUPAC name of 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine (CID 65300566) is 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine is CCCc1ccc(CCC(C)(C)CCN)cc1.
What is the InChIKey of 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine?
The InChIKey is VKLQKWPLPVPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-14-6-8-15(9-7-14)10-11-16(2,3)12-13-17/h6-9H,4-5,10-13,17H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine?
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine is sourced from PubChem (CID 65300566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).