5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine

C19H33N — CID 65300670

IUPAC5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCCc1ccc(CCCCCNCC(C)C)cc1
InChIInChI=1S/C19H33N/c1-4-5-9-18-11-13-19(14-12-18)10-7-6-8-15-20-16-17(2)3/h11-14,17,20H,4-10,15-16H2,1-3H3
InChIKeyATADROZDUIHJEI-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.99
Rot. Bonds11

About 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine

5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65300670) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID65300670
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCCc1ccc(CCCCCNCC(C)C)cc1
InChIInChI=1S/C19H33N/c1-4-5-9-18-11-13-19(14-12-18)10-7-6-8-15-20-16-17(2)3/h11-14,17,20H,4-10,15-16H2,1-3H3
InChIKeyATADROZDUIHJEI-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
5-(3-bromo-4-propoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662947
1-butyl-4-nonylbenzene
CID 59545302
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine (CID 65300670) is 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine is CCCCc1ccc(CCCCCNCC(C)C)cc1.
What is the InChIKey of 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ATADROZDUIHJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-4-5-9-18-11-13-19(14-12-18)10-7-6-8-15-20-16-17(2)3/h11-14,17,20H,4-10,15-16H2,1-3H3.
What are the key properties of 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine?
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65300670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).