(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine

C12H19NS — CID 81398141

IUPAC(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(N[C@@H](C)c1cccs1)C1(C)CC1
InChIInChI=1S/C12H19NS/c1-9(11-5-4-8-14-11)13-10(2)12(3)6-7-12/h4-5,8-10,13H,6-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyCGPJQCWNGSJHFH-RGURZIINSA-N
MW209.36 g/mol
LogP3.59
Rot. Bonds4

About (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine

(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 81398141) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID81398141
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(N[C@@H](C)c1cccs1)C1(C)CC1
InChIInChI=1S/C12H19NS/c1-9(11-5-4-8-14-11)13-10(2)12(3)6-7-12/h4-5,8-10,13H,6-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyCGPJQCWNGSJHFH-RGURZIINSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398407
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405399
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
1-thiophen-2-ylethylhydrazine
CID 18071025
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662
3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398337
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398184
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine (CID 81398141) is (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine is CC(N[C@@H](C)c1cccs1)C1(C)CC1.
What is the InChIKey of (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is CGPJQCWNGSJHFH-RGURZIINSA-N. The full InChI is InChI=1S/C12H19NS/c1-9(11-5-4-8-14-11)13-10(2)12(3)6-7-12/h4-5,8-10,13H,6-7H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).