1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol

C14H31NO4 — CID 137390115

IUPAC1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol
SMILESCC(C)CC(O)CC(O)CC(O)CC(O)C(C)CN
InChIInChI=1S/C14H31NO4/c1-9(2)4-11(16)5-12(17)6-13(18)7-14(19)10(3)8-15/h9-14,16-19H,4-8,15H2,1-3H3
InChIKeyUHOMRZZGDBEZPL-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.24
Rot. Bonds10

About 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol

1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol (PubChem CID 137390115) has the molecular formula C14H31NO4 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol.

Molecular Properties

Compound Name1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol
PubChem CID137390115
Molecular FormulaC14H31NO4
Molecular Weight277.41 g/mol
Exact Mass277.23
IUPAC Name1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol
SMILESCC(C)CC(O)CC(O)CC(O)CC(O)C(C)CN
InChIInChI=1S/C14H31NO4/c1-9(2)4-11(16)5-12(17)6-13(18)7-14(19)10(3)8-15/h9-14,16-19H,4-8,15H2,1-3H3
InChIKeyUHOMRZZGDBEZPL-UHFFFAOYSA-N
XLogP0.24
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol?
The IUPAC name of 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol (CID 137390115) is 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol.
What is the SMILES notation for 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol?
The canonical SMILES for 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol is CC(C)CC(O)CC(O)CC(O)CC(O)C(C)CN.
What is the InChIKey of 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol?
The InChIKey is UHOMRZZGDBEZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-9(2)4-11(16)5-12(17)6-13(18)7-14(19)10(3)8-15/h9-14,16-19H,4-8,15H2,1-3H3.
What are the key properties of 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol?
1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol has a molecular weight of 277.41 g/mol, XLogP of 0.24, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol is sourced from PubChem (CID 137390115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).