1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine

C18H29N — CID 103162893

IUPAC1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H29N/c1-4-14(3)16-9-11-17(12-10-16)18(19-5-2)13-15-7-6-8-15/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeySDLOAWWGKITXBG-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.04
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine

1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine (PubChem CID 103162893) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
PubChem CID103162893
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H29N/c1-4-14(3)16-9-11-17(12-10-16)18(19-5-2)13-15-7-6-8-15/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeySDLOAWWGKITXBG-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
1-butan-2-yl-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165604
2-cyclopropyl-N-ethyl-1-pyridin-4-ylethanamine
CID 64906307
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
CID 104986583
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854866
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine (CID 103162893) is 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine is CCNC(CC1CCC1)c1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine?
The InChIKey is SDLOAWWGKITXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-14(3)16-9-11-17(12-10-16)18(19-5-2)13-15-7-6-8-15/h9-12,14-15,18-19H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine?
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine has a molecular weight of 259.44 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 103162893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).