2,10-diamino-6-methylundecan-6-ol

C12H28N2O — CID 134833140

IUPAC2,10-diamino-6-methylundecan-6-ol
SMILESCC(N)CCCC(C)(O)CCCC(C)N
InChIInChI=1S/C12H28N2O/c1-10(13)6-4-8-12(3,15)9-5-7-11(2)14/h10-11,15H,4-9,13-14H2,1-3H3
InChIKeyJTGUFRJWMURHRX-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.77
Rot. Bonds8

About 2,10-diamino-6-methylundecan-6-ol

2,10-diamino-6-methylundecan-6-ol (PubChem CID 134833140) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2,10-diamino-6-methylundecan-6-ol.

Molecular Properties

Compound Name2,10-diamino-6-methylundecan-6-ol
PubChem CID134833140
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2,10-diamino-6-methylundecan-6-ol
SMILESCC(N)CCCC(C)(O)CCCC(C)N
InChIInChI=1S/C12H28N2O/c1-10(13)6-4-8-12(3,15)9-5-7-11(2)14/h10-11,15H,4-9,13-14H2,1-3H3
InChIKeyJTGUFRJWMURHRX-UHFFFAOYSA-N
XLogP1.77
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,10-diamino-6-methylundecan-6-ol?
The IUPAC name of 2,10-diamino-6-methylundecan-6-ol (CID 134833140) is 2,10-diamino-6-methylundecan-6-ol.
What is the SMILES notation for 2,10-diamino-6-methylundecan-6-ol?
The canonical SMILES for 2,10-diamino-6-methylundecan-6-ol is CC(N)CCCC(C)(O)CCCC(C)N.
What is the InChIKey of 2,10-diamino-6-methylundecan-6-ol?
The InChIKey is JTGUFRJWMURHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(13)6-4-8-12(3,15)9-5-7-11(2)14/h10-11,15H,4-9,13-14H2,1-3H3.
What are the key properties of 2,10-diamino-6-methylundecan-6-ol?
2,10-diamino-6-methylundecan-6-ol has a molecular weight of 216.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diamino-6-methylundecan-6-ol is sourced from PubChem (CID 134833140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).