4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol

C12H22N2O3 — CID 22973589

IUPAC4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol
SMILESC=C(C)NC1CC(NC(=C)C)C(O)C(O)C1O
InChIInChI=1S/C12H22N2O3/c1-6(2)13-8-5-9(14-7(3)4)11(16)12(17)10(8)15/h8-17H,1,3,5H2,2,4H3
InChIKeyHKFXYVVXTFONGF-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.54
Rot. Bonds4

About 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol

4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol (PubChem CID 22973589) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol.

Molecular Properties

Compound Name4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol
PubChem CID22973589
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol
SMILESC=C(C)NC1CC(NC(=C)C)C(O)C(O)C1O
InChIInChI=1S/C12H22N2O3/c1-6(2)13-8-5-9(14-7(3)4)11(16)12(17)10(8)15/h8-17H,1,3,5H2,2,4H3
InChIKeyHKFXYVVXTFONGF-UHFFFAOYSA-N
XLogP-0.54
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-prop-1-en-2-ylcyclobutanamine
CID 143509764
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 89294364
(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 134943095
2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
5-tert-butyl-4-methyl-N-prop-1-en-2-ylthiolan-3-amine
CID 167090799
N-prop-1-en-2-ylcyclohept-4-en-1-amine
CID 135292572
N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
CID 13387486
4-(hydroxymethyl)-6-(methylamino)cyclohexane-1,2,3-triol
CID 59945574
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
1,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
CID 142944905
N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide
CID 157408507

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol?
The IUPAC name of 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol (CID 22973589) is 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol.
What is the SMILES notation for 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol?
The canonical SMILES for 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol is C=C(C)NC1CC(NC(=C)C)C(O)C(O)C1O.
What is the InChIKey of 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol?
The InChIKey is HKFXYVVXTFONGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6(2)13-8-5-9(14-7(3)4)11(16)12(17)10(8)15/h8-17H,1,3,5H2,2,4H3.
What are the key properties of 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol?
4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol has a molecular weight of 242.32 g/mol, XLogP of -0.54, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol is sourced from PubChem (CID 22973589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).