(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol

C13H25NO3 — CID 54452264

IUPAC(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol
SMILESN[C@](CO)(CC1CCCCC1)C1OCCCO1
InChIInChI=1S/C13H25NO3/c14-13(10-15,12-16-7-4-8-17-12)9-11-5-2-1-3-6-11/h11-12,15H,1-10,14H2/t13-/m0/s1
InChIKeyWVTDECFVGRJZPZ-ZDUSSCGKSA-N
MW243.35 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol

(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol (PubChem CID 54452264) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol
PubChem CID54452264
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol
SMILESN[C@](CO)(CC1CCCCC1)C1OCCCO1
InChIInChI=1S/C13H25NO3/c14-13(10-15,12-16-7-4-8-17-12)9-11-5-2-1-3-6-11/h11-12,15H,1-10,14H2/t13-/m0/s1
InChIKeyWVTDECFVGRJZPZ-ZDUSSCGKSA-N
XLogP1.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol
CID 144726385
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
CID 64806558
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
CID 70927498
2-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711
2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
CID 79449950
CID 22399719
CID 22399719
2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
CID 64796314
cyclotetradecylmethanol
CID 23468347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol (CID 54452264) is (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol is N[C@](CO)(CC1CCCCC1)C1OCCCO1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol?
The InChIKey is WVTDECFVGRJZPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO3/c14-13(10-15,12-16-7-4-8-17-12)9-11-5-2-1-3-6-11/h11-12,15H,1-10,14H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol?
(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol is sourced from PubChem (CID 54452264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).