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

C11H20N2S — CID 116949667

IUPACN,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine
SMILESCNC(c1sccc1C)C(C)CCN
InChIInChI=1S/C11H20N2S/c1-8(4-6-12)10(13-3)11-9(2)5-7-14-11/h5,7-8,10,13H,4,6,12H2,1-3H3
InChIKeyDWHYKLWLTKOAIX-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.30
Rot. Bonds5

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

N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine (PubChem CID 116949667) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine
PubChem CID116949667
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine
SMILESCNC(c1sccc1C)C(C)CCN
InChIInChI=1S/C11H20N2S/c1-8(4-6-12)10(13-3)11-9(2)5-7-14-11/h5,7-8,10,13H,4,6,12H2,1-3H3
InChIKeyDWHYKLWLTKOAIX-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960907
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
4,4,4-trifluoro-3-(3-methylthiophen-2-yl)butan-1-amine
CID 83917879
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
CID 171222710
N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
CID 105037504
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine (CID 116949667) is N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine is CNC(c1sccc1C)C(C)CCN.
What is the InChIKey of N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine?
The InChIKey is DWHYKLWLTKOAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(4-6-12)10(13-3)11-9(2)5-7-14-11/h5,7-8,10,13H,4,6,12H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine?
N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116949667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).