1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine

C12H22N2S — CID 116905642

IUPAC1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
SMILESCc1ccsc1C(CCC(C)N)N(C)C
InChIInChI=1S/C12H22N2S/c1-9-7-8-15-12(9)11(14(3)4)6-5-10(2)13/h7-8,10-11H,5-6,13H2,1-4H3
InChIKeySKIUUOADZLYNGU-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.79
Rot. Bonds5

About 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine

1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine (PubChem CID 116905642) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
PubChem CID116905642
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
SMILESCc1ccsc1C(CCC(C)N)N(C)C
InChIInChI=1S/C12H22N2S/c1-9-7-8-15-12(9)11(14(3)4)6-5-10(2)13/h7-8,10-11H,5-6,13H2,1-4H3
InChIKeySKIUUOADZLYNGU-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 95122078
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
CID 63992430
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine (CID 116905642) is 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine is Cc1ccsc1C(CCC(C)N)N(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine?
The InChIKey is SKIUUOADZLYNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-7-8-15-12(9)11(14(3)4)6-5-10(2)13/h7-8,10-11H,5-6,13H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine?
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 116905642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).