2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine

C14H32N2S — CID 79483686

IUPAC2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)CCSC
InChIInChI=1S/C14H32N2S/c1-6-13(7-2)16(11-12(3)4)14(10-15)8-9-17-5/h12-14H,6-11,15H2,1-5H3
InChIKeyHFOFSPREMHYHLS-UHFFFAOYSA-N
MW260.49 g/mol
LogP3.21
Rot. Bonds10

About 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine

2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine (PubChem CID 79483686) has the molecular formula C14H32N2S and a molecular weight of 260.49 g/mol. Its IUPAC name is 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
PubChem CID79483686
Molecular FormulaC14H32N2S
Molecular Weight260.49 g/mol
Exact Mass260.23
IUPAC Name2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)CCSC
InChIInChI=1S/C14H32N2S/c1-6-13(7-2)16(11-12(3)4)14(10-15)8-9-17-5/h12-14H,6-11,15H2,1-5H3
InChIKeyHFOFSPREMHYHLS-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine (CID 79483686) is 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)CCSC.
What is the InChIKey of 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine?
The InChIKey is HFOFSPREMHYHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2S/c1-6-13(7-2)16(11-12(3)4)14(10-15)8-9-17-5/h12-14H,6-11,15H2,1-5H3.
What are the key properties of 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine?
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine has a molecular weight of 260.49 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine is sourced from PubChem (CID 79483686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).