1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C14H23ClN2S — CID 170905957

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1csc(CNCC2CCCC3NCCC23)c1
InChIInChI=1S/C14H22N2S.ClH/c1-3-11(13-6-7-16-14(13)5-1)9-15-10-12-4-2-8-17-12;/h2,4,8,11,13-16H,1,3,5-7,9-10H2;1H
InChIKeyGRUYOGBAHQWDOA-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.04
Rot. Bonds4

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 170905957) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID170905957
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1csc(CNCC2CCCC3NCCC23)c1
InChIInChI=1S/C14H22N2S.ClH/c1-3-11(13-6-7-16-14(13)5-1)9-15-10-12-4-2-8-17-12;/h2,4,8,11,13-16H,1,3,5-7,9-10H2;1H
InChIKeyGRUYOGBAHQWDOA-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride with MolForge

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Related Compounds

4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
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CID 10988011
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
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N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
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CID 79072850
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CID 52991221
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N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 170905957) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1csc(CNCC2CCCC3NCCC23)c1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is GRUYOGBAHQWDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c1-3-11(13-6-7-16-14(13)5-1)9-15-10-12-4-2-8-17-12;/h2,4,8,11,13-16H,1,3,5-7,9-10H2;1H.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 170905957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).