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

C17H27NS — CID 63521635

IUPACN-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(CC)s2)CC2CCC1C2
InChIInChI=1S/C17H27NS/c1-3-15-7-8-16(19-15)11-17(12-18-4-2)10-13-5-6-14(17)9-13/h7-8,13-14,18H,3-6,9-12H2,1-2H3
InChIKeyJIUNNZBYUJEIKD-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.27
Rot. Bonds6

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

N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 63521635) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID63521635
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(CC)s2)CC2CCC1C2
InChIInChI=1S/C17H27NS/c1-3-15-7-8-16(19-15)11-17(12-18-4-2)10-13-5-6-14(17)9-13/h7-8,13-14,18H,3-6,9-12H2,1-2H3
InChIKeyJIUNNZBYUJEIKD-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63521834
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521459
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[[2-[(3,5-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521111
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 112644073
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 55195272
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645
1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55106783
N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 116518042

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 63521635) is N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is CCNCC1(Cc2ccc(CC)s2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is JIUNNZBYUJEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-15-7-8-16(19-15)11-17(12-18-4-2)10-13-5-6-14(17)9-13/h7-8,13-14,18H,3-6,9-12H2,1-2H3.
What are the key properties of N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is sourced from PubChem (CID 63521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).