2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine

C13H28N2S — CID 43296517

IUPAC2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)C1CCSC1
InChIInChI=1S/C13H28N2S/c1-4-7-13(11-14,8-5-2)15(3)12-6-9-16-10-12/h12H,4-11,14H2,1-3H3
InChIKeyGDYDKZHHKMEWHL-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.72
Rot. Bonds7

About 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine

2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine (PubChem CID 43296517) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
PubChem CID43296517
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)C1CCSC1
InChIInChI=1S/C13H28N2S/c1-4-7-13(11-14,8-5-2)15(3)12-6-9-16-10-12/h12H,4-11,14H2,1-3H3
InChIKeyGDYDKZHHKMEWHL-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine (CID 43296517) is 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine is CCCC(CN)(CCC)N(C)C1CCSC1.
What is the InChIKey of 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
The InChIKey is GDYDKZHHKMEWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-7-13(11-14,8-5-2)15(3)12-6-9-16-10-12/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 43296517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).