1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine

C15H32N2S — CID 79956626

IUPAC1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCCSC1C
InChIInChI=1S/C15H32N2S/c1-5-17(6-2)11-7-9-13(3)16-15-10-8-12-18-14(15)4/h13-16H,5-12H2,1-4H3
InChIKeyLNEHYTJHKOPYEG-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.37
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine (PubChem CID 79956626) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
PubChem CID79956626
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCCSC1C
InChIInChI=1S/C15H32N2S/c1-5-17(6-2)11-7-9-13(3)16-15-10-8-12-18-14(15)4/h13-16H,5-12H2,1-4H3
InChIKeyLNEHYTJHKOPYEG-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine (CID 79956626) is 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)NC1CCCSC1C.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine?
The InChIKey is LNEHYTJHKOPYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-5-17(6-2)11-7-9-13(3)16-15-10-8-12-18-14(15)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine has a molecular weight of 272.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine is sourced from PubChem (CID 79956626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).