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

C8H19N3O — CID 62334644

IUPAC3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(C)O
InChIInChI=1S/C8H19N3O/c1-6(8(9)10)4-11(3)5-7(2)12/h6-7,12H,4-5H2,1-3H3,(H3,9,10)
InChIKeySMOHLMSROZDUDY-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.13
Rot. Bonds5

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

3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 62334644) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide
PubChem CID62334644
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(C)O
InChIInChI=1S/C8H19N3O/c1-6(8(9)10)4-11(3)5-7(2)12/h6-7,12H,4-5H2,1-3H3,(H3,9,10)
InChIKeySMOHLMSROZDUDY-UHFFFAOYSA-N
XLogP-0.13
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.13
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 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide (CID 62334644) is 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CC(C)O.
What is the InChIKey of 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is SMOHLMSROZDUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(8(9)10)4-11(3)5-7(2)12/h6-7,12H,4-5H2,1-3H3,(H3,9,10).
What are the key properties of 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide?
3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 173.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 62334644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).