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

C11H20N2S — CID 115202509

IUPACN,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine
SMILESCc1ccsc1N(C)CC(C)CCN
InChIInChI=1S/C11H20N2S/c1-9(4-6-12)8-13(3)11-10(2)5-7-14-11/h5,7,9H,4,6,8,12H2,1-3H3
InChIKeyIKPVJUZFTKOZBQ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.48
Rot. Bonds5

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

N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine (PubChem CID 115202509) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine
PubChem CID115202509
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine
SMILESCc1ccsc1N(C)CC(C)CCN
InChIInChI=1S/C11H20N2S/c1-9(4-6-12)8-13(3)11-10(2)5-7-14-11/h5,7,9H,4,6,8,12H2,1-3H3
InChIKeyIKPVJUZFTKOZBQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine (CID 115202509) is N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine is Cc1ccsc1N(C)CC(C)CCN.
What is the InChIKey of N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine?
The InChIKey is IKPVJUZFTKOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(4-6-12)8-13(3)11-10(2)5-7-14-11/h5,7,9H,4,6,8,12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine?
N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine is sourced from PubChem (CID 115202509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).