4,8-diamino-7-(methylamino)decane-5-thiol

C11H27N3S — CID 174307812

IUPAC4,8-diamino-7-(methylamino)decane-5-thiol
SMILESCCCC(N)C(S)CC(NC)C(N)CC
InChIInChI=1S/C11H27N3S/c1-4-6-9(13)11(15)7-10(14-3)8(12)5-2/h8-11,14-15H,4-7,12-13H2,1-3H3
InChIKeyUOASXVRDXGFYQF-UHFFFAOYSA-N
MW233.42 g/mol
LogP1.13
Rot. Bonds8

About 4,8-diamino-7-(methylamino)decane-5-thiol

4,8-diamino-7-(methylamino)decane-5-thiol (PubChem CID 174307812) has the molecular formula C11H27N3S and a molecular weight of 233.42 g/mol. Its IUPAC name is 4,8-diamino-7-(methylamino)decane-5-thiol.

Molecular Properties

Compound Name4,8-diamino-7-(methylamino)decane-5-thiol
PubChem CID174307812
Molecular FormulaC11H27N3S
Molecular Weight233.42 g/mol
Exact Mass233.19
IUPAC Name4,8-diamino-7-(methylamino)decane-5-thiol
SMILESCCCC(N)C(S)CC(NC)C(N)CC
InChIInChI=1S/C11H27N3S/c1-4-6-9(13)11(15)7-10(14-3)8(12)5-2/h8-11,14-15H,4-7,12-13H2,1-3H3
InChIKeyUOASXVRDXGFYQF-UHFFFAOYSA-N
XLogP1.13
TPSA64.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-N-methylhexane-1,3-diamine
CID 116946426
(4R,5R)-octane-4,5-diamine
CID 13138963
3,4-diaminohexane-1,1-dithiol
CID 91505662
5,7-dimethyloctan-4-amine
CID 83047107
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
1-aminobutan-1-ol;1-(methylamino)ethanol
CID 157231135
hexane-3,4-diamine
CID 12656175
(2R,3R)-2-N-methylheptane-2,3-diamine
CID 88890786
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
1-chloro-N-methylbutan-1-amine
CID 22396140
3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 43127622

Frequently Asked Questions

What is the IUPAC name of 4,8-diamino-7-(methylamino)decane-5-thiol?
The IUPAC name of 4,8-diamino-7-(methylamino)decane-5-thiol (CID 174307812) is 4,8-diamino-7-(methylamino)decane-5-thiol.
What is the SMILES notation for 4,8-diamino-7-(methylamino)decane-5-thiol?
The canonical SMILES for 4,8-diamino-7-(methylamino)decane-5-thiol is CCCC(N)C(S)CC(NC)C(N)CC.
What is the InChIKey of 4,8-diamino-7-(methylamino)decane-5-thiol?
The InChIKey is UOASXVRDXGFYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3S/c1-4-6-9(13)11(15)7-10(14-3)8(12)5-2/h8-11,14-15H,4-7,12-13H2,1-3H3.
What are the key properties of 4,8-diamino-7-(methylamino)decane-5-thiol?
4,8-diamino-7-(methylamino)decane-5-thiol has a molecular weight of 233.42 g/mol, XLogP of 1.13, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diamino-7-(methylamino)decane-5-thiol is sourced from PubChem (CID 174307812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).