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

C14H21NS — CID 61365333

IUPACN-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)C1CC2CCC1C2
InChIInChI=1S/C14H21NS/c1-2-15-14(13-4-3-7-16-13)12-9-10-5-6-11(12)8-10/h3-4,7,10-12,14-15H,2,5-6,8-9H2,1H3
InChIKeyKHHZOQKJEDZMJG-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.83
Rot. Bonds4

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

N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 61365333) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
PubChem CID61365333
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)C1CC2CCC1C2
InChIInChI=1S/C14H21NS/c1-2-15-14(13-4-3-7-16-13)12-9-10-5-6-11(12)8-10/h3-4,7,10-12,14-15H,2,5-6,8-9H2,1H3
InChIKeyKHHZOQKJEDZMJG-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 114246866
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine
CID 63689796
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 64904958
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine (CID 61365333) is N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine is CCNC(c1cccs1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is KHHZOQKJEDZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-15-14(13-4-3-7-16-13)12-9-10-5-6-11(12)8-10/h3-4,7,10-12,14-15H,2,5-6,8-9H2,1H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61365333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).