3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile

C15H26N4OS — CID 103425750

IUPAC3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile
SMILESCCN(CC)CCCC(C)Nc1sc(C#N)c(N)c1OC
InChIInChI=1S/C15H26N4OS/c1-5-19(6-2)9-7-8-11(3)18-15-14(20-4)13(17)12(10-16)21-15/h11,18H,5-9,17H2,1-4H3
InChIKeyFSJXTDMNUGLNRR-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.13
Rot. Bonds9

About 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile

3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile (PubChem CID 103425750) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile
PubChem CID103425750
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile
SMILESCCN(CC)CCCC(C)Nc1sc(C#N)c(N)c1OC
InChIInChI=1S/C15H26N4OS/c1-5-19(6-2)9-7-8-11(3)18-15-14(20-4)13(17)12(10-16)21-15/h11,18H,5-9,17H2,1-4H3
InChIKeyFSJXTDMNUGLNRR-UHFFFAOYSA-N
XLogP3.13
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
CID 106029269
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
CID 103425944
2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
CID 83073411
4-[5-(diethylamino)pentan-2-ylamino]-3,5-difluorobenzonitrile
CID 81285374
3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2,4-dicarbonitrile
CID 106044905
4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 3069064
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103382511
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile (CID 103425750) is 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile is CCN(CC)CCCC(C)Nc1sc(C#N)c(N)c1OC.
What is the InChIKey of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile?
The InChIKey is FSJXTDMNUGLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-19(6-2)9-7-8-11(3)18-15-14(20-4)13(17)12(10-16)21-15/h11,18H,5-9,17H2,1-4H3.
What are the key properties of 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile?
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile has a molecular weight of 310.47 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile is sourced from PubChem (CID 103425750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).