1-(3-cyclobutylphenyl)-2-methylbutan-1-amine

C15H23N — CID 114603023

IUPAC1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H23N/c1-3-11(2)15(16)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3
InChIKeyQOKKRZBZZBBIMT-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.00
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine

1-(3-cyclobutylphenyl)-2-methylbutan-1-amine (PubChem CID 114603023) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
PubChem CID114603023
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H23N/c1-3-11(2)15(16)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3
InChIKeyQOKKRZBZZBBIMT-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153
1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
CID 114604686
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789
1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247202
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine (CID 114603023) is 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine?
The InChIKey is QOKKRZBZZBBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-11(2)15(16)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine?
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 114603023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).