N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine

C17H27NS — CID 114817555

IUPACN-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
SMILESCCC(NC1CCC2(CCCC2)CC1)c1cccs1
InChIInChI=1S/C17H27NS/c1-2-15(16-6-5-13-19-16)18-14-7-11-17(12-8-14)9-3-4-10-17/h5-6,13-15,18H,2-4,7-12H2,1H3
InChIKeySRKYCLLJNQVILT-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.29
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine

N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine (PubChem CID 114817555) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
PubChem CID114817555
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
SMILESCCC(NC1CCC2(CCCC2)CC1)c1cccs1
InChIInChI=1S/C17H27NS/c1-2-15(16-6-5-13-19-16)18-14-7-11-17(12-8-14)9-3-4-10-17/h5-6,13-15,18H,2-4,7-12H2,1H3
InChIKeySRKYCLLJNQVILT-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54964413
N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895590
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
CID 115893597
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 81321669
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine (CID 114817555) is N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine is CCC(NC1CCC2(CCCC2)CC1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
The InChIKey is SRKYCLLJNQVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-15(16-6-5-13-19-16)18-14-7-11-17(12-8-14)9-3-4-10-17/h5-6,13-15,18H,2-4,7-12H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine?
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine has a molecular weight of 277.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).