1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine

C16H26N2S — CID 80554170

IUPAC1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(C(NCC2CCCNC2)C2CCCC2)c1
InChIInChI=1S/C16H26N2S/c1-2-7-14(6-1)16(15-8-4-10-19-15)18-12-13-5-3-9-17-11-13/h4,8,10,13-14,16-18H,1-3,5-7,9,11-12H2
InChIKeyUTRKZQYJDQJNBS-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.57
Rot. Bonds5

About 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 80554170) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID80554170
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(C(NCC2CCCNC2)C2CCCC2)c1
InChIInChI=1S/C16H26N2S/c1-2-7-14(6-1)16(15-8-4-10-19-15)18-12-13-5-3-9-17-11-13/h4,8,10,13-14,16-18H,1-3,5-7,9,11-12H2
InChIKeyUTRKZQYJDQJNBS-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine
CID 136877601
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
CID 103981438
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 80554170) is 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine is c1csc(C(NCC2CCCNC2)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is UTRKZQYJDQJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-7-14(6-1)16(15-8-4-10-19-15)18-12-13-5-3-9-17-11-13/h4,8,10,13-14,16-18H,1-3,5-7,9,11-12H2.
What are the key properties of 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 80554170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).