N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine

C18H31NS — CID 43767528

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C18H31NS/c1-3-5-9-15(4-2)14-19-18(16-10-6-7-11-16)17-12-8-13-20-17/h8,12-13,15-16,18-19H,3-7,9-11,14H2,1-2H3
InChIKeyUGEBPYPBCPPGFL-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.79
Rot. Bonds9

About N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine (PubChem CID 43767528) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
PubChem CID43767528
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C18H31NS/c1-3-5-9-15(4-2)14-19-18(16-10-6-7-11-16)17-12-8-13-20-17/h8,12-13,15-16,18-19H,3-7,9-11,14H2,1-2H3
InChIKeyUGEBPYPBCPPGFL-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
CID 63420427
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine (CID 43767528) is N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine?
The InChIKey is UGEBPYPBCPPGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-5-9-15(4-2)14-19-18(16-10-6-7-11-16)17-12-8-13-20-17/h8,12-13,15-16,18-19H,3-7,9-11,14H2,1-2H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 43767528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).