8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine

C17H28N2S — CID 114818042

IUPAC8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine
SMILESCN(Cc1ccsc1)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C17H28N2S/c1-19(12-15-4-11-20-13-15)17(14-18)9-7-16(8-10-17)5-2-3-6-16/h4,11,13H,2-3,5-10,12,14,18H2,1H3
InChIKeyKRGWUANNBYRWTQ-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.01
Rot. Bonds4

About 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine

8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine (PubChem CID 114818042) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine
PubChem CID114818042
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine
SMILESCN(Cc1ccsc1)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C17H28N2S/c1-19(12-15-4-11-20-13-15)17(14-18)9-7-16(8-10-17)5-2-3-6-16/h4,11,13H,2-3,5-10,12,14,18H2,1H3
InChIKeyKRGWUANNBYRWTQ-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine?
The IUPAC name of 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine (CID 114818042) is 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine?
The canonical SMILES for 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine is CN(Cc1ccsc1)C1(CN)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine?
The InChIKey is KRGWUANNBYRWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-19(12-15-4-11-20-13-15)17(14-18)9-7-16(8-10-17)5-2-3-6-16/h4,11,13H,2-3,5-10,12,14,18H2,1H3.
What are the key properties of 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine?
8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine has a molecular weight of 292.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114818042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).