1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride

C12H23ClN2S — CID 170888988

IUPAC1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(CC(N)CC)s1.Cl
InChIInChI=1S/C12H22N2S.ClH/c1-3-9(13)7-11-5-6-12(15-11)8-10(14)4-2;/h5-6,9-10H,3-4,7-8,13-14H2,1-2H3;1H
InChIKeyNSXXHDFDDPFTRW-UHFFFAOYSA-N
MW262.85 g/mol
LogP2.73
Rot. Bonds6

About 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride

1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride (PubChem CID 170888988) has the molecular formula C12H23ClN2S and a molecular weight of 262.85 g/mol. Its IUPAC name is 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
PubChem CID170888988
Molecular FormulaC12H23ClN2S
Molecular Weight262.85 g/mol
Exact Mass262.13
IUPAC Name1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(CC(N)CC)s1.Cl
InChIInChI=1S/C12H22N2S.ClH/c1-3-9(13)7-11-5-6-12(15-11)8-10(14)4-2;/h5-6,9-10H,3-4,7-8,13-14H2,1-2H3;1H
InChIKeyNSXXHDFDDPFTRW-UHFFFAOYSA-N
XLogP2.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.85
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
CID 170888631
4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine
CID 91468234
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952744
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
CID 170889223
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride (CID 170888988) is 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride is CCC(N)Cc1ccc(CC(N)CC)s1.Cl.
What is the InChIKey of 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride?
The InChIKey is NSXXHDFDDPFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S.ClH/c1-3-9(13)7-11-5-6-12(15-11)8-10(14)4-2;/h5-6,9-10H,3-4,7-8,13-14H2,1-2H3;1H.
What are the key properties of 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride?
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride has a molecular weight of 262.85 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170888988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).