(Z)-2,3-bis(methylamino)prop-2-en-1-ol

C5H12N2O — CID 88953890

IUPAC(Z)-2,3-bis(methylamino)prop-2-en-1-ol
SMILESCN/C=C(/CO)NC
InChIInChI=1S/C5H12N2O/c1-6-3-5(4-8)7-2/h3,6-8H,4H2,1-2H3/b5-3-
InChIKeyOXNGJQOMDPCMSF-HYXAFXHYSA-N
MW116.16 g/mol
LogP-0.74
Rot. Bonds3

About (Z)-2,3-bis(methylamino)prop-2-en-1-ol

(Z)-2,3-bis(methylamino)prop-2-en-1-ol (PubChem CID 88953890) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-2,3-bis(methylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2,3-bis(methylamino)prop-2-en-1-ol
PubChem CID88953890
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(Z)-2,3-bis(methylamino)prop-2-en-1-ol
SMILESCN/C=C(/CO)NC
InChIInChI=1S/C5H12N2O/c1-6-3-5(4-8)7-2/h3,6-8H,4H2,1-2H3/b5-3-
InChIKeyOXNGJQOMDPCMSF-HYXAFXHYSA-N
XLogP-0.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Fluoropropan-2-ylamino)prop-2-en-1-ol
CID 166898382
2-(2-Fluoroethylamino)prop-2-en-1-ol
CID 166898417
[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium
CID 169172849
(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol
CID 169172850
2,3-dihydro-1H-imidazol-4-ylmethanol
CID 12630193
2-[(1-Methylethenyl)amino]ethanol
CID 15413083
(4-chloro-1H-pyrazin-2-yl)methanol
CID 87251830
2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
CID 87387433
2-(2-Hydroxyethylamino)prop-2-en-1-ol
CID 87850735
2-(Propylamino)prop-2-en-1-ol
CID 88884742
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103
2-(4-Aminobutylamino)prop-2-en-1-ol
CID 121448594

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(methylamino)prop-2-en-1-ol?
The IUPAC name of (Z)-2,3-bis(methylamino)prop-2-en-1-ol (CID 88953890) is (Z)-2,3-bis(methylamino)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2,3-bis(methylamino)prop-2-en-1-ol?
The canonical SMILES for (Z)-2,3-bis(methylamino)prop-2-en-1-ol is CN/C=C(/CO)NC.
What is the InChIKey of (Z)-2,3-bis(methylamino)prop-2-en-1-ol?
The InChIKey is OXNGJQOMDPCMSF-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6-3-5(4-8)7-2/h3,6-8H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-2,3-bis(methylamino)prop-2-en-1-ol?
(Z)-2,3-bis(methylamino)prop-2-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(methylamino)prop-2-en-1-ol is sourced from PubChem (CID 88953890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).