3,10-diaminododecane-5,8-diol

C12H28N2O2 — CID 165390918

IUPAC3,10-diaminododecane-5,8-diol
SMILESCCC(N)CC(O)CCC(O)CC(N)CC
InChIInChI=1S/C12H28N2O2/c1-3-9(13)7-11(15)5-6-12(16)8-10(14)4-2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyMVCLQDKDGHCATD-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.74
Rot. Bonds9

About 3,10-diaminododecane-5,8-diol

3,10-diaminododecane-5,8-diol (PubChem CID 165390918) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,10-diaminododecane-5,8-diol.

Molecular Properties

Compound Name3,10-diaminododecane-5,8-diol
PubChem CID165390918
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3,10-diaminododecane-5,8-diol
SMILESCCC(N)CC(O)CCC(O)CC(N)CC
InChIInChI=1S/C12H28N2O2/c1-3-9(13)7-11(15)5-6-12(16)8-10(14)4-2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyMVCLQDKDGHCATD-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminohexane-1,2-diol
CID 170888613
4-aminohexane-1,2-diol
CID 18615667
(5R)-heptane-3,5-diamine
CID 118180613
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(5R,7S)-7-aminoundecan-5-ol
CID 13234597
(3R)-5,6-diaminohexan-3-ol
CID 89425679
decane-2,4,7,9-tetrol
CID 87436016
4-aminohexane-1,1-diol
CID 91042814
2-aminoheptane-1,5-diol
CID 130023350
4-amino-2-hydroxyhexanamide
CID 87857755
heptane-1,3,5-triamine
CID 89360326
2-aminooctadecane-1,4-diol
CID 12701355

Frequently Asked Questions

What is the IUPAC name of 3,10-diaminododecane-5,8-diol?
The IUPAC name of 3,10-diaminododecane-5,8-diol (CID 165390918) is 3,10-diaminododecane-5,8-diol.
What is the SMILES notation for 3,10-diaminododecane-5,8-diol?
The canonical SMILES for 3,10-diaminododecane-5,8-diol is CCC(N)CC(O)CCC(O)CC(N)CC.
What is the InChIKey of 3,10-diaminododecane-5,8-diol?
The InChIKey is MVCLQDKDGHCATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-3-9(13)7-11(15)5-6-12(16)8-10(14)4-2/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of 3,10-diaminododecane-5,8-diol?
3,10-diaminododecane-5,8-diol has a molecular weight of 232.37 g/mol, XLogP of 0.74, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diaminododecane-5,8-diol is sourced from PubChem (CID 165390918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).