N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide

C7H17N3O — CID 123403219

IUPACN'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide
SMILESCC(C)C(=NCN)NCCO
InChIInChI=1S/C7H17N3O/c1-6(2)7(10-5-8)9-3-4-11/h6,11H,3-5,8H2,1-2H3,(H,9,10)
InChIKeySXFKDLHPPNJRHO-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.46
Rot. Bonds4

About N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide

N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide (PubChem CID 123403219) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide
PubChem CID123403219
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide
SMILESCC(C)C(=NCN)NCCO
InChIInChI=1S/C7H17N3O/c1-6(2)7(10-5-8)9-3-4-11/h6,11H,3-5,8H2,1-2H3,(H,9,10)
InChIKeySXFKDLHPPNJRHO-UHFFFAOYSA-N
XLogP-0.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.46
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 N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide?
The IUPAC name of N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide (CID 123403219) is N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide is CC(C)C(=NCN)NCCO.
What is the InChIKey of N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide?
The InChIKey is SXFKDLHPPNJRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(2)7(10-5-8)9-3-4-11/h6,11H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide?
N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide has a molecular weight of 159.23 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)-N-(2-hydroxyethyl)-2-methylpropanimidamide is sourced from PubChem (CID 123403219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).