N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine

C13H21NS — CID 115907862

IUPACN-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
SMILESCC(CNCC1CCCC1)c1ccsc1
InChIInChI=1S/C13H21NS/c1-11(13-6-7-15-10-13)8-14-9-12-4-2-3-5-12/h6-7,10-12,14H,2-5,8-9H2,1H3
InChIKeyHHKHDKFCDNSQNT-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.63
Rot. Bonds5

About N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine

N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine (PubChem CID 115907862) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
PubChem CID115907862
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
SMILESCC(CNCC1CCCC1)c1ccsc1
InChIInChI=1S/C13H21NS/c1-11(13-6-7-15-10-13)8-14-9-12-4-2-3-5-12/h6-7,10-12,14H,2-5,8-9H2,1H3
InChIKeyHHKHDKFCDNSQNT-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide
CID 97019926
2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 64927505
2,2-dimethyl-N-(2-thiophen-3-ylpropyl)cyclopentan-1-amine
CID 115726200
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
2-[(5-methyloxolan-2-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434859
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
3-oxo-N-(2-thiophen-3-ylpropyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 86769691
N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115667086

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine (CID 115907862) is N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine is CC(CNCC1CCCC1)c1ccsc1.
What is the InChIKey of N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine?
The InChIKey is HHKHDKFCDNSQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11(13-6-7-15-10-13)8-14-9-12-4-2-3-5-12/h6-7,10-12,14H,2-5,8-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine?
N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine has a molecular weight of 223.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115907862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).