3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide

C7H17N3O — CID 60961567

IUPAC3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCO
InChIInChI=1S/C7H17N3O/c1-6(7(8)9)5-10(2)3-4-11/h6,11H,3-5H2,1-2H3,(H3,8,9)
InChIKeyCJHQSSWIXHSDBD-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.52
Rot. Bonds5

About 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide

3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 60961567) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
PubChem CID60961567
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCO
InChIInChI=1S/C7H17N3O/c1-6(7(8)9)5-10(2)3-4-11/h6,11H,3-5H2,1-2H3,(H3,8,9)
InChIKeyCJHQSSWIXHSDBD-UHFFFAOYSA-N
XLogP-0.52
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 103370659
3,3,3-Trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103370707
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
CID 107480271
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 107480299
2-[[Butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113808135
2-[2-Hydroxyethyl(propyl)amino]ethanimidamide
CID 61424990
3-(Diethylamino)-3-hydroxypropanimidamide
CID 91136049
N-(2-hydroxyethyl)-N-methylpropanimidamide
CID 144438001

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide (CID 60961567) is 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is CJHQSSWIXHSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(7(8)9)5-10(2)3-4-11/h6,11H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide?
3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 159.23 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 60961567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).