2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine

C13H28N2S — CID 62568442

IUPAC2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C1CCSC1
InChIInChI=1S/C13H28N2S/c1-5-12(6-2)14-9-11(3)15(4)13-7-8-16-10-13/h11-14H,5-10H2,1-4H3
InChIKeyGSWORRNNUVRIJV-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds7

About 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine

2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine (PubChem CID 62568442) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
PubChem CID62568442
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)C1CCSC1
InChIInChI=1S/C13H28N2S/c1-5-12(6-2)14-9-11(3)15(4)13-7-8-16-10-13/h11-14H,5-10H2,1-4H3
InChIKeyGSWORRNNUVRIJV-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine (CID 62568442) is 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine is CCC(CC)NCC(C)N(C)C1CCSC1.
What is the InChIKey of 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The InChIKey is GSWORRNNUVRIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-5-12(6-2)14-9-11(3)15(4)13-7-8-16-10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine?
2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 62568442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).