1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine

C17H29NS — CID 115856935

IUPAC1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
SMILESCCCNC(CCc1ccsc1)CCC1CCCC1
InChIInChI=1S/C17H29NS/c1-2-12-18-17(9-7-15-5-3-4-6-15)10-8-16-11-13-19-14-16/h11,13-15,17-18H,2-10,12H2,1H3
InChIKeyFBWDGSAQUZYQAT-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.02
Rot. Bonds9

About 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine

1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine (PubChem CID 115856935) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
PubChem CID115856935
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
SMILESCCCNC(CCc1ccsc1)CCC1CCCC1
InChIInChI=1S/C17H29NS/c1-2-12-18-17(9-7-15-5-3-4-6-15)10-8-16-11-13-19-14-16/h11,13-15,17-18H,2-10,12H2,1H3
InChIKeyFBWDGSAQUZYQAT-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-cyclopentyl-5-thiophen-3-ylpentan-3-amine
CID 115857138
1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115857152
1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 65392242

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine?
The IUPAC name of 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine (CID 115856935) is 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine?
The canonical SMILES for 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine is CCCNC(CCc1ccsc1)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine?
The InChIKey is FBWDGSAQUZYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-2-12-18-17(9-7-15-5-3-4-6-15)10-8-16-11-13-19-14-16/h11,13-15,17-18H,2-10,12H2,1H3.
What are the key properties of 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine?
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine has a molecular weight of 279.49 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 115856935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).