N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine

C19H31N — CID 103162968

IUPACN-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCCc1ccc(C(CC2CCC2)NCCC)cc1
InChIInChI=1S/C19H31N/c1-3-5-7-16-10-12-18(13-11-16)19(20-14-4-2)15-17-8-6-9-17/h10-13,17,19-20H,3-9,14-15H2,1-2H3
InChIKeyFCPLPBTXMVMYQK-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds9

About N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine

N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine (PubChem CID 103162968) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
PubChem CID103162968
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCCc1ccc(C(CC2CCC2)NCCC)cc1
InChIInChI=1S/C19H31N/c1-3-5-7-16-10-12-18(13-11-16)19(20-14-4-2)15-17-8-6-9-17/h10-13,17,19-20H,3-9,14-15H2,1-2H3
InChIKeyFCPLPBTXMVMYQK-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
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N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine (CID 103162968) is N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine is CCCCc1ccc(C(CC2CCC2)NCCC)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine?
The InChIKey is FCPLPBTXMVMYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-7-16-10-12-18(13-11-16)19(20-14-4-2)15-17-8-6-9-17/h10-13,17,19-20H,3-9,14-15H2,1-2H3.
What are the key properties of N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine?
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 103162968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).