1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine

C20H29N — CID 114604658

IUPAC1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H29N/c1-2-21-20(14-16-8-4-3-5-9-16)19-13-7-12-18(15-19)17-10-6-11-17/h7-8,12-13,15,17,20-21H,2-6,9-11,14H2,1H3
InChIKeyMVHIUOQZFFIDPN-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.50
Rot. Bonds6

About 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine

1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine (PubChem CID 114604658) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
PubChem CID114604658
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H29N/c1-2-21-20(14-16-8-4-3-5-9-16)19-13-7-12-18(15-19)17-10-6-11-17/h7-8,12-13,15,17,20-21H,2-6,9-11,14H2,1H3
InChIKeyMVHIUOQZFFIDPN-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
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
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
CID 114522221
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine (CID 114604658) is 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine is CCNC(CC1=CCCCC1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
The InChIKey is MVHIUOQZFFIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-2-21-20(14-16-8-4-3-5-9-16)19-13-7-12-18(15-19)17-10-6-11-17/h7-8,12-13,15,17,20-21H,2-6,9-11,14H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine has a molecular weight of 283.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine is sourced from PubChem (CID 114604658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).