2-[(diaminoamino)methyl]prop-2-en-1-ol

C4H11N3O — CID 163939384

IUPAC2-[(diaminoamino)methyl]prop-2-en-1-ol
SMILESC=C(CO)CN(N)N
InChIInChI=1S/C4H11N3O/c1-4(3-8)2-7(5)6/h8H,1-3,5-6H2
InChIKeyRPRIWDWIYXJULJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.42
Rot. Bonds3

About 2-[(diaminoamino)methyl]prop-2-en-1-ol

2-[(diaminoamino)methyl]prop-2-en-1-ol (PubChem CID 163939384) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-[(diaminoamino)methyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(diaminoamino)methyl]prop-2-en-1-ol
PubChem CID163939384
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name2-[(diaminoamino)methyl]prop-2-en-1-ol
SMILESC=C(CO)CN(N)N
InChIInChI=1S/C4H11N3O/c1-4(3-8)2-7(5)6/h8H,1-3,5-6H2
InChIKeyRPRIWDWIYXJULJ-UHFFFAOYSA-N
XLogP-1.42
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylidenebutan-1-ol
CID 135993183
butyl N-(butoxycarbonylamino)-N-[2-(hydroxymethyl)prop-2-enyl]carbamate
CID 155341223
1,1-bis(prop-1-en-2-yl)hydrazine
CID 129023174
(Z)-1-[3-(dimethylamino)prop-1-en-2-ylsulfanyl]prop-1-en-2-amine
CID 163689455
dimethylaminomethanol;zinc
CID 87991931
methanamine;tris(methanediol)
CID 173091621
(E)-2-methylidenehex-4-en-1-ol
CID 15564150
2-(2-hydroxyethoxymethyl)prop-2-en-1-ol
CID 142282066
2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol
CID 103071256
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
2-methylidenepentadecan-1-ol
CID 10847661
2-methylprop-2-en-1-ol;zirconium
CID 88651592

Frequently Asked Questions

What is the IUPAC name of 2-[(diaminoamino)methyl]prop-2-en-1-ol?
The IUPAC name of 2-[(diaminoamino)methyl]prop-2-en-1-ol (CID 163939384) is 2-[(diaminoamino)methyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(diaminoamino)methyl]prop-2-en-1-ol?
The canonical SMILES for 2-[(diaminoamino)methyl]prop-2-en-1-ol is C=C(CO)CN(N)N.
What is the InChIKey of 2-[(diaminoamino)methyl]prop-2-en-1-ol?
The InChIKey is RPRIWDWIYXJULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-4(3-8)2-7(5)6/h8H,1-3,5-6H2.
What are the key properties of 2-[(diaminoamino)methyl]prop-2-en-1-ol?
2-[(diaminoamino)methyl]prop-2-en-1-ol has a molecular weight of 117.15 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diaminoamino)methyl]prop-2-en-1-ol is sourced from PubChem (CID 163939384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).