(2-methylprop-2-enylamino)methanol

C5H11NO — CID 19091971

IUPAC(2-methylprop-2-enylamino)methanol
SMILESC=C(C)CNCO
InChIInChI=1S/C5H11NO/c1-5(2)3-6-4-7/h6-7H,1,3-4H2,2H3
InChIKeyRDBVWMAQOVYXBS-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.10
Rot. Bonds3

About (2-methylprop-2-enylamino)methanol

(2-methylprop-2-enylamino)methanol (PubChem CID 19091971) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (2-methylprop-2-enylamino)methanol.

Molecular Properties

Compound Name(2-methylprop-2-enylamino)methanol
PubChem CID19091971
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(2-methylprop-2-enylamino)methanol
SMILESC=C(C)CNCO
InChIInChI=1S/C5H11NO/c1-5(2)3-6-4-7/h6-7H,1,3-4H2,2H3
InChIKeyRDBVWMAQOVYXBS-UHFFFAOYSA-N
XLogP0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

2-(2-methylprop-2-enylamino)ethanol
CID 19100967
N,N-dimethyl-2-(2-methylprop-2-enylamino)acetamide
CID 60698028
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide
CID 114616996
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
N-[2-(2-methylprop-2-enylamino)ethyl]acetamide
CID 60691853
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
N-(2-methoxyethyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115574976

Frequently Asked Questions

What is the IUPAC name of (2-methylprop-2-enylamino)methanol?
The IUPAC name of (2-methylprop-2-enylamino)methanol (CID 19091971) is (2-methylprop-2-enylamino)methanol.
What is the SMILES notation for (2-methylprop-2-enylamino)methanol?
The canonical SMILES for (2-methylprop-2-enylamino)methanol is C=C(C)CNCO.
What is the InChIKey of (2-methylprop-2-enylamino)methanol?
The InChIKey is RDBVWMAQOVYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h6-7H,1,3-4H2,2H3.
What are the key properties of (2-methylprop-2-enylamino)methanol?
(2-methylprop-2-enylamino)methanol has a molecular weight of 101.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylprop-2-enylamino)methanol is sourced from PubChem (CID 19091971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).