1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine

C17H27NS — CID 63422667

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NC(C)C2CC3CCC2C3)s1
InChIInChI=1S/C17H27NS/c1-4-15-7-8-17(19-15)12(3)18-11(2)16-10-13-5-6-14(16)9-13/h7-8,11-14,16,18H,4-6,9-10H2,1-3H3
InChIKeyUKXYOFKZXGTSBD-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.79
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine (PubChem CID 63422667) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
PubChem CID63422667
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NC(C)C2CC3CCC2C3)s1
InChIInChI=1S/C17H27NS/c1-4-15-7-8-17(19-15)12(3)18-11(2)16-10-13-5-6-14(16)9-13/h7-8,11-14,16,18H,4-6,9-10H2,1-3H3
InChIKeyUKXYOFKZXGTSBD-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine with MolForge

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
2-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-5-ethylthiophene
CID 63430948
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093
1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412059
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 43099010
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43111844
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43111446
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75414550
4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine (CID 63422667) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine is CCc1ccc(C(C)NC(C)C2CC3CCC2C3)s1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is UKXYOFKZXGTSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-15-7-8-17(19-15)12(3)18-11(2)16-10-13-5-6-14(16)9-13/h7-8,11-14,16,18H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63422667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).