4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine

C14H23NS — CID 115644666

IUPAC4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
SMILESCC(CCC1CCCC1)NCc1cccs1
InChIInChI=1S/C14H23NS/c1-12(8-9-13-5-2-3-6-13)15-11-14-7-4-10-16-14/h4,7,10,12-13,15H,2-3,5-6,8-9,11H2,1H3
InChIKeyIQQWROQDVPCKDW-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.20
Rot. Bonds6

About 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine

4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine (PubChem CID 115644666) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
PubChem CID115644666
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
SMILESCC(CCC1CCCC1)NCc1cccs1
InChIInChI=1S/C14H23NS/c1-12(8-9-13-5-2-3-6-13)15-11-14-7-4-10-16-14/h4,7,10,12-13,15H,2-3,5-6,8-9,11H2,1H3
InChIKeyIQQWROQDVPCKDW-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-cyclopentyl-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 103157774
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine (CID 115644666) is 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine is CC(CCC1CCCC1)NCc1cccs1.
What is the InChIKey of 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine?
The InChIKey is IQQWROQDVPCKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-12(8-9-13-5-2-3-6-13)15-11-14-7-4-10-16-14/h4,7,10,12-13,15H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine?
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 115644666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).