N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine

C18H29NS — CID 65304606

IUPACN-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine
SMILESCCc1ccc(CCC2(CCNC3CC3)CCCC2)s1
InChIInChI=1S/C18H29NS/c1-2-16-7-8-17(20-16)9-12-18(10-3-4-11-18)13-14-19-15-5-6-15/h7-8,15,19H,2-6,9-14H2,1H3
InChIKeyVWPPISKROWQDCC-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.95
Rot. Bonds8

About N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine

N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine (PubChem CID 65304606) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine
PubChem CID65304606
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine
SMILESCCc1ccc(CCC2(CCNC3CC3)CCCC2)s1
InChIInChI=1S/C18H29NS/c1-2-16-7-8-17(20-16)9-12-18(10-3-4-11-18)13-14-19-15-5-6-15/h7-8,15,19H,2-6,9-14H2,1H3
InChIKeyVWPPISKROWQDCC-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645
N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine
CID 65304656
N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine
CID 65304618
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55194898
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81034587
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81027975
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine (CID 65304606) is N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine is CCc1ccc(CCC2(CCNC3CC3)CCCC2)s1.
What is the InChIKey of N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
The InChIKey is VWPPISKROWQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-2-16-7-8-17(20-16)9-12-18(10-3-4-11-18)13-14-19-15-5-6-15/h7-8,15,19H,2-6,9-14H2,1H3.
What are the key properties of N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine has a molecular weight of 291.50 g/mol, XLogP of 4.95, 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-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine is sourced from PubChem (CID 65304606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).