1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

C18H29N — CID 114603052

IUPAC1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H29N/c1-5-19-17(13-18(2,3)4)16-11-7-10-15(12-16)14-8-6-9-14/h7,10-12,14,17,19H,5-6,8-9,13H2,1-4H3
InChIKeyLRJOLAGNMSQMFY-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.04
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 114603052) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID114603052
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H29N/c1-5-19-17(13-18(2,3)4)16-11-7-10-15(12-16)14-8-6-9-14/h7,10-12,14,17,19H,5-6,8-9,13H2,1-4H3
InChIKeyLRJOLAGNMSQMFY-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 114603052) is 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is LRJOLAGNMSQMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-19-17(13-18(2,3)4)16-11-7-10-15(12-16)14-8-6-9-14/h7,10-12,14,17,19H,5-6,8-9,13H2,1-4H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.04, 5 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-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114603052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).