1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine

C16H21NS2 — CID 63989311

IUPAC1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
SMILESCC(CC1CC1)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C16H21NS2/c1-12(10-13-6-7-13)17-15(16-5-3-9-19-16)11-14-4-2-8-18-14/h2-5,8-9,12-13,15,17H,6-7,10-11H2,1H3
InChIKeyNTQUCYSSHLYFAN-UHFFFAOYSA-N
MW291.49 g/mol
LogP4.87
Rot. Bonds7

About 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine

1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine (PubChem CID 63989311) has the molecular formula C16H21NS2 and a molecular weight of 291.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
PubChem CID63989311
Molecular FormulaC16H21NS2
Molecular Weight291.49 g/mol
Exact Mass291.11
IUPAC Name1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
SMILESCC(CC1CC1)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C16H21NS2/c1-12(10-13-6-7-13)17-15(16-5-3-9-19-16)11-14-4-2-8-18-14/h2-5,8-9,12-13,15,17H,6-7,10-11H2,1H3
InChIKeyNTQUCYSSHLYFAN-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
CID 64629979
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
CID 115707556
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine (CID 63989311) is 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine is CC(CC1CC1)NC(Cc1cccs1)c1cccs1.
What is the InChIKey of 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine?
The InChIKey is NTQUCYSSHLYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS2/c1-12(10-13-6-7-13)17-15(16-5-3-9-19-16)11-14-4-2-8-18-14/h2-5,8-9,12-13,15,17H,6-7,10-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine?
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine has a molecular weight of 291.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine is sourced from PubChem (CID 63989311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).