1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C17H29NS — CID 107188788

IUPAC1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1CCCC1(C)C
InChIInChI=1S/C17H29NS/c1-4-11-18-16(8-7-14-9-12-19-13-14)15-6-5-10-17(15,2)3/h9,12-13,15-16,18H,4-8,10-11H2,1-3H3
InChIKeyNPIHSFGRHPCMNS-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.88
Rot. Bonds7

About 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 107188788) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID107188788
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1CCCC1(C)C
InChIInChI=1S/C17H29NS/c1-4-11-18-16(8-7-14-9-12-19-13-14)15-6-5-10-17(15,2)3/h9,12-13,15-16,18H,4-8,10-11H2,1-3H3
InChIKeyNPIHSFGRHPCMNS-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 65392242
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115857152
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 107188788) is 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is NPIHSFGRHPCMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-11-18-16(8-7-14-9-12-19-13-14)15-6-5-10-17(15,2)3/h9,12-13,15-16,18H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 107188788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).