2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine

C8H16N2S — CID 106426592

IUPAC2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
SMILESC#CCSCCNC(C)CN
InChIInChI=1S/C8H16N2S/c1-3-5-11-6-4-10-8(2)7-9/h1,8,10H,4-7,9H2,2H3
InChIKeyLUKFSOYCACASRY-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.29
Rot. Bonds6

About 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine

2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine (PubChem CID 106426592) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
PubChem CID106426592
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
SMILESC#CCSCCNC(C)CN
InChIInChI=1S/C8H16N2S/c1-3-5-11-6-4-10-8(2)7-9/h1,8,10H,4-7,9H2,2H3
InChIKeyLUKFSOYCACASRY-UHFFFAOYSA-N
XLogP0.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 115891473
6-methyl-N-(2-prop-2-ynylsulfanylethyl)hept-5-en-2-amine
CID 115891537
N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
CID 103902575
3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
CID 103902534
methyl 2-(2-prop-2-ynylsulfanylethylamino)propanoate
CID 106426518
2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine
CID 130899234
1-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115668118
1-cyclohexyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115677247
1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine
CID 106426416
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
N'-hydroxy-2-(2-prop-2-ynylsulfanylethylamino)butanimidamide
CID 106429178

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine (CID 106426592) is 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine is C#CCSCCNC(C)CN.
What is the InChIKey of 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine?
The InChIKey is LUKFSOYCACASRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-5-11-6-4-10-8(2)7-9/h1,8,10H,4-7,9H2,2H3.
What are the key properties of 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine?
2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine has a molecular weight of 172.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 106426592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).