N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine

C17H29NS — CID 65303941

IUPACN-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
SMILESCCCNCCC1(CCc2sccc2C)CCCC1
InChIInChI=1S/C17H29NS/c1-3-12-18-13-11-17(8-4-5-9-17)10-6-16-15(2)7-14-19-16/h7,14,18H,3-6,8-13H2,1-2H3
InChIKeyYCAOBTHKFWMXQX-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.94
Rot. Bonds8

About N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine

N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine (PubChem CID 65303941) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
PubChem CID65303941
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
SMILESCCCNCCC1(CCc2sccc2C)CCCC1
InChIInChI=1S/C17H29NS/c1-3-12-18-13-11-17(8-4-5-9-17)10-6-16-15(2)7-14-19-16/h7,14,18H,3-6,8-13H2,1-2H3
InChIKeyYCAOBTHKFWMXQX-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65304934
N-[2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 102765265
N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65303510
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 65303987
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)ethyl]cyclopentyl]-N-ethylethanamine
CID 79991176
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
2-methyl-3-(3-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79995326

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine (CID 65303941) is N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine is CCCNCCC1(CCc2sccc2C)CCCC1.
What is the InChIKey of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine?
The InChIKey is YCAOBTHKFWMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-3-12-18-13-11-17(8-4-5-9-17)10-6-16-15(2)7-14-19-16/h7,14,18H,3-6,8-13H2,1-2H3.
What are the key properties of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine?
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine is sourced from PubChem (CID 65303941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).