2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine

C14H26N2S — CID 63992430

IUPAC2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
SMILESCc1ccsc1C(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H26N2S/c1-10(2)13(16(5)6)9-15-12(4)14-11(3)7-8-17-14/h7-8,10,12-13,15H,9H2,1-6H3
InChIKeyCWQCQUCUAIXLFP-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.29
Rot. Bonds6

About 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine (PubChem CID 63992430) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
PubChem CID63992430
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
SMILESCc1ccsc1C(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H26N2S/c1-10(2)13(16(5)6)9-15-12(4)14-11(3)7-8-17-14/h7-8,10,12-13,15H,9H2,1-6H3
InChIKeyCWQCQUCUAIXLFP-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine (CID 63992430) is 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine is Cc1ccsc1C(C)NCC(C(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine?
The InChIKey is CWQCQUCUAIXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-10(2)13(16(5)6)9-15-12(4)14-11(3)7-8-17-14/h7-8,10,12-13,15H,9H2,1-6H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine is sourced from PubChem (CID 63992430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).