2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine

C12H26N2S — CID 43207883

IUPAC2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCC(C)CC(CNC1CCSC1)N(C)C
InChIInChI=1S/C12H26N2S/c1-10(2)7-12(14(3)4)8-13-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3
InChIKeyKHMBYEPLHRYEPQ-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (PubChem CID 43207883) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
PubChem CID43207883
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCC(C)CC(CNC1CCSC1)N(C)C
InChIInChI=1S/C12H26N2S/c1-10(2)7-12(14(3)4)8-13-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3
InChIKeyKHMBYEPLHRYEPQ-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
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,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (CID 43207883) is 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is CC(C)CC(CNC1CCSC1)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The InChIKey is KHMBYEPLHRYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-10(2)7-12(14(3)4)8-13-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 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,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 43207883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).