1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine

C20H33N — CID 105053791

IUPAC1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H33N/c1-4-9-17(10-5-2)20(21-6-3)19-14-8-13-18(15-19)16-11-7-12-16/h8,13-17,20-21H,4-7,9-12H2,1-3H3
InChIKeyMTCWIMLUIFADEK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.82
Rot. Bonds9

About 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine

1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine (PubChem CID 105053791) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
PubChem CID105053791
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H33N/c1-4-9-17(10-5-2)20(21-6-3)19-14-8-13-18(15-19)16-11-7-12-16/h8,13-17,20-21H,4-7,9-12H2,1-3H3
InChIKeyMTCWIMLUIFADEK-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
[1-(3-cyclobutylphenyl)-2-methoxypentyl]hydrazine
CID 105271668
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine (CID 105053791) is 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine is CCCC(CCC)C(NCC)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine?
The InChIKey is MTCWIMLUIFADEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-9-17(10-5-2)20(21-6-3)19-14-8-13-18(15-19)16-11-7-12-16/h8,13-17,20-21H,4-7,9-12H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine?
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine is sourced from PubChem (CID 105053791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).