2-[2-hydroxypropyl(methyl)amino]ethanimidamide

C6H15N3O — CID 62334102

IUPAC2-[2-hydroxypropyl(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC(C)O
InChIInChI=1S/C6H15N3O/c1-5(10)3-9(2)4-6(7)8/h5,10H,3-4H2,1-2H3,(H3,7,8)
InChIKeyYXHPIVSSNNNADG-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.77
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]ethanimidamide

2-[2-hydroxypropyl(methyl)amino]ethanimidamide (PubChem CID 62334102) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]ethanimidamide
PubChem CID62334102
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-[2-hydroxypropyl(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC(C)O
InChIInChI=1S/C6H15N3O/c1-5(10)3-9(2)4-6(7)8/h5,10H,3-4H2,1-2H3,(H3,7,8)
InChIKeyYXHPIVSSNNNADG-UHFFFAOYSA-N
XLogP-0.77
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.77
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]ethanimidamide (CID 62334102) is 2-[2-hydroxypropyl(methyl)amino]ethanimidamide.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CC(C)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
The InChIKey is YXHPIVSSNNNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-5(10)3-9(2)4-6(7)8/h5,10H,3-4H2,1-2H3,(H3,7,8).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
2-[2-hydroxypropyl(methyl)amino]ethanimidamide has a molecular weight of 145.21 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]ethanimidamide is sourced from PubChem (CID 62334102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).