(Z)-3-amino-1-(methylamino)prop-1-en-2-ol

C4H10N2O — CID 126611867

IUPAC(Z)-3-amino-1-(methylamino)prop-1-en-2-ol
SMILESCN/C=C(\O)CN
InChIInChI=1S/C4H10N2O/c1-6-3-4(7)2-5/h3,6-7H,2,5H2,1H3/b4-3-
InChIKeyRHWNKTDJAKTTAA-ARJAWSKDSA-N
MW102.14 g/mol
LogP-0.44
Rot. Bonds2

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

(Z)-3-amino-1-(methylamino)prop-1-en-2-ol (PubChem CID 126611867) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (Z)-3-amino-1-(methylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-3-amino-1-(methylamino)prop-1-en-2-ol
PubChem CID126611867
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(Z)-3-amino-1-(methylamino)prop-1-en-2-ol
SMILESCN/C=C(\O)CN
InChIInChI=1S/C4H10N2O/c1-6-3-4(7)2-5/h3,6-7H,2,5H2,1H3/b4-3-
InChIKeyRHWNKTDJAKTTAA-ARJAWSKDSA-N
XLogP-0.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxypropylene-1,3-diamine
CID 129764661
1-(Methylamino)prop-1-en-2-olate
CID 25201787
1-(Methylamino)prop-1-en-2-ol
CID 25201788
1,3-Diaminoprop-1-en-2-ol
CID 85605384
3-(Methylamino)prop-1-en-2-ol
CID 88482880
(Z)-1-(ethylamino)prop-1-en-2-ol
CID 88943856
(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol
CID 139514097
(E)-1-(methylamino)prop-1-en-2-ol
CID 142634529
2-Hydroxyprop-2-enyl(dimethyl)azanium
CID 148919411
(E)-1-(propylamino)prop-1-en-2-ol
CID 163773515
(E)-1-(ethylamino)prop-1-en-2-ol
CID 166777426
(E)-3-amino-1-(methylamino)prop-1-en-2-ol
CID 167014002

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1-(methylamino)prop-1-en-2-ol?
The IUPAC name of (Z)-3-amino-1-(methylamino)prop-1-en-2-ol (CID 126611867) is (Z)-3-amino-1-(methylamino)prop-1-en-2-ol.
What is the SMILES notation for (Z)-3-amino-1-(methylamino)prop-1-en-2-ol?
The canonical SMILES for (Z)-3-amino-1-(methylamino)prop-1-en-2-ol is CN/C=C(\O)CN.
What is the InChIKey of (Z)-3-amino-1-(methylamino)prop-1-en-2-ol?
The InChIKey is RHWNKTDJAKTTAA-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H10N2O/c1-6-3-4(7)2-5/h3,6-7H,2,5H2,1H3/b4-3-.
What are the key properties of (Z)-3-amino-1-(methylamino)prop-1-en-2-ol?
(Z)-3-amino-1-(methylamino)prop-1-en-2-ol has a molecular weight of 102.14 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-1-(methylamino)prop-1-en-2-ol is sourced from PubChem (CID 126611867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).