N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine

C18H31NS — CID 106023478

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C18H31NS/c1-3-5-12-16(9-4-2)19-18(15-10-6-7-11-15)17-13-8-14-20-17/h8,13-16,18-19H,3-7,9-12H2,1-2H3
InChIKeyBFYHMJOCFUCPPX-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.93
Rot. Bonds9

About N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine

N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine (PubChem CID 106023478) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
PubChem CID106023478
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C18H31NS/c1-3-5-12-16(9-4-2)19-18(15-10-6-7-11-15)17-13-8-14-20-17/h8,13-16,18-19H,3-7,9-12H2,1-2H3
InChIKeyBFYHMJOCFUCPPX-UHFFFAOYSA-N
XLogP5.93
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 ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine (CID 106023478) is N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine is CCCCC(CCC)NC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine?
The InChIKey is BFYHMJOCFUCPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-5-12-16(9-4-2)19-18(15-10-6-7-11-15)17-13-8-14-20-17/h8,13-16,18-19H,3-7,9-12H2,1-2H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine has a molecular weight of 293.52 g/mol, XLogP of 5.93, 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]octan-4-amine is sourced from PubChem (CID 106023478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).