3-(cyclododecylamino)propane-1,2-diol

C15H31NO2 — CID 66175077

IUPAC3-(cyclododecylamino)propane-1,2-diol
SMILESOCC(O)CNC1CCCCCCCCCCC1
InChIInChI=1S/C15H31NO2/c17-13-15(18)12-16-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-18H,1-13H2
InChIKeyPFLBDANDHFQWFZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.60
Rot. Bonds4

About 3-(cyclododecylamino)propane-1,2-diol

3-(cyclododecylamino)propane-1,2-diol (PubChem CID 66175077) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(cyclododecylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(cyclododecylamino)propane-1,2-diol
PubChem CID66175077
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-(cyclododecylamino)propane-1,2-diol
SMILESOCC(O)CNC1CCCCCCCCCCC1
InChIInChI=1S/C15H31NO2/c17-13-15(18)12-16-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-18H,1-13H2
InChIKeyPFLBDANDHFQWFZ-UHFFFAOYSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(cyclododecylamino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-(cyclooctylamino)propan-2-ol
CID 10443428
(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
CID 127036001
3-[(3-aminocyclohexyl)amino]propane-1,2-diol
CID 79458034
(2S)-3-(thian-3-ylamino)propane-1,2-diol
CID 104870598
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol
CID 77109946

Frequently Asked Questions

What is the IUPAC name of 3-(cyclododecylamino)propane-1,2-diol?
The IUPAC name of 3-(cyclododecylamino)propane-1,2-diol (CID 66175077) is 3-(cyclododecylamino)propane-1,2-diol.
What is the SMILES notation for 3-(cyclododecylamino)propane-1,2-diol?
The canonical SMILES for 3-(cyclododecylamino)propane-1,2-diol is OCC(O)CNC1CCCCCCCCCCC1.
What is the InChIKey of 3-(cyclododecylamino)propane-1,2-diol?
The InChIKey is PFLBDANDHFQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c17-13-15(18)12-16-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-18H,1-13H2.
What are the key properties of 3-(cyclododecylamino)propane-1,2-diol?
3-(cyclododecylamino)propane-1,2-diol has a molecular weight of 257.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylamino)propane-1,2-diol is sourced from PubChem (CID 66175077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).