2,3-diamino-4,5,6,7-tetramethylnonan-5-ol

C13H30N2O — CID 138647319

IUPAC2,3-diamino-4,5,6,7-tetramethylnonan-5-ol
SMILESCCC(C)C(C)C(C)(O)C(C)C(N)C(C)N
InChIInChI=1S/C13H30N2O/c1-7-8(2)9(3)13(6,16)10(4)12(15)11(5)14/h8-12,16H,7,14-15H2,1-6H3
InChIKeyDWGDLYZWCHVPFF-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.73
Rot. Bonds6

About 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol

2,3-diamino-4,5,6,7-tetramethylnonan-5-ol (PubChem CID 138647319) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol.

Molecular Properties

Compound Name2,3-diamino-4,5,6,7-tetramethylnonan-5-ol
PubChem CID138647319
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2,3-diamino-4,5,6,7-tetramethylnonan-5-ol
SMILESCCC(C)C(C)C(C)(O)C(C)C(N)C(C)N
InChIInChI=1S/C13H30N2O/c1-7-8(2)9(3)13(6,16)10(4)12(15)11(5)14/h8-12,16H,7,14-15H2,1-6H3
InChIKeyDWGDLYZWCHVPFF-UHFFFAOYSA-N
XLogP1.73
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol?
The IUPAC name of 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol (CID 138647319) is 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol.
What is the SMILES notation for 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol?
The canonical SMILES for 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol is CCC(C)C(C)C(C)(O)C(C)C(N)C(C)N.
What is the InChIKey of 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol?
The InChIKey is DWGDLYZWCHVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-8(2)9(3)13(6,16)10(4)12(15)11(5)14/h8-12,16H,7,14-15H2,1-6H3.
What are the key properties of 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol?
2,3-diamino-4,5,6,7-tetramethylnonan-5-ol has a molecular weight of 230.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4,5,6,7-tetramethylnonan-5-ol is sourced from PubChem (CID 138647319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).