N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine

C18H29NS — CID 114817785

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
SMILESCC(C)(CNC1CCC2(CCCC2)CC1)c1cccs1
InChIInChI=1S/C18H29NS/c1-17(2,16-6-5-13-20-16)14-19-15-7-11-18(12-8-15)9-3-4-10-18/h5-6,13,15,19H,3-4,7-12,14H2,1-2H3
InChIKeyQKAQRQJSFJGEJL-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.12
Rot. Bonds4

About N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine

N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine (PubChem CID 114817785) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
PubChem CID114817785
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
SMILESCC(C)(CNC1CCC2(CCCC2)CC1)c1cccs1
InChIInChI=1S/C18H29NS/c1-17(2,16-6-5-13-20-16)14-19-15-7-11-18(12-8-15)9-3-4-10-18/h5-6,13,15,19H,3-4,7-12,14H2,1-2H3
InChIKeyQKAQRQJSFJGEJL-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 80526769
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 107428609

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine (CID 114817785) is N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine is CC(C)(CNC1CCC2(CCCC2)CC1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
The InChIKey is QKAQRQJSFJGEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-17(2,16-6-5-13-20-16)14-19-15-7-11-18(12-8-15)9-3-4-10-18/h5-6,13,15,19H,3-4,7-12,14H2,1-2H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine has a molecular weight of 291.50 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).