2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol

C15H29NO2 — CID 65313032

IUPAC2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
SMILESOCC(CO)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C15H29NO2/c17-10-13(11-18)16-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h12-18H,1-11H2
InChIKeyTURJAKKIIBINDX-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol

2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol (PubChem CID 65313032) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
PubChem CID65313032
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
SMILESOCC(CO)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C15H29NO2/c17-10-13(11-18)16-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h12-18H,1-11H2
InChIKeyTURJAKKIIBINDX-UHFFFAOYSA-N
XLogP2.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
2-cyclohexyl-N-(dicyclopropylmethyl)cyclohexan-1-amine
CID 43768530
3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
CID 62646058
3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 106348908
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propane-1,3-diol
CID 65315355
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine
CID 114414930
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol (CID 65313032) is 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol is OCC(CO)NC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol?
The InChIKey is TURJAKKIIBINDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c17-10-13(11-18)16-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h12-18H,1-11H2.
What are the key properties of 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol?
2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol has a molecular weight of 255.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol is sourced from PubChem (CID 65313032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).