[2-(2-aminoethyl)but-2-enylamino]methanol

C7H16N2O — CID 123964674

IUPAC[2-(2-aminoethyl)but-2-enylamino]methanol
SMILESCC=C(CCN)CNCO
InChIInChI=1S/C7H16N2O/c1-2-7(3-4-8)5-9-6-10/h2,9-10H,3-6,8H2,1H3
InChIKeyMQISLOYXWRLOOK-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.18
Rot. Bonds5

About [2-(2-aminoethyl)but-2-enylamino]methanol

[2-(2-aminoethyl)but-2-enylamino]methanol (PubChem CID 123964674) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is [2-(2-aminoethyl)but-2-enylamino]methanol.

Molecular Properties

Compound Name[2-(2-aminoethyl)but-2-enylamino]methanol
PubChem CID123964674
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name[2-(2-aminoethyl)but-2-enylamino]methanol
SMILESCC=C(CCN)CNCO
InChIInChI=1S/C7H16N2O/c1-2-7(3-4-8)5-9-6-10/h2,9-10H,3-6,8H2,1H3
InChIKeyMQISLOYXWRLOOK-UHFFFAOYSA-N
XLogP-0.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)but-2-enylamino]methanol?
The IUPAC name of [2-(2-aminoethyl)but-2-enylamino]methanol (CID 123964674) is [2-(2-aminoethyl)but-2-enylamino]methanol.
What is the SMILES notation for [2-(2-aminoethyl)but-2-enylamino]methanol?
The canonical SMILES for [2-(2-aminoethyl)but-2-enylamino]methanol is CC=C(CCN)CNCO.
What is the InChIKey of [2-(2-aminoethyl)but-2-enylamino]methanol?
The InChIKey is MQISLOYXWRLOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-7(3-4-8)5-9-6-10/h2,9-10H,3-6,8H2,1H3.
What are the key properties of [2-(2-aminoethyl)but-2-enylamino]methanol?
[2-(2-aminoethyl)but-2-enylamino]methanol has a molecular weight of 144.22 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)but-2-enylamino]methanol is sourced from PubChem (CID 123964674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).