3-(diethylamino)-3-hydroxypropanimidamide

C7H17N3O — CID 91136049

IUPAC3-(diethylamino)-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)CC(O)N(CC)CC
InChIInChI=1S/C7H17N3O/c1-3-10(4-2)7(11)5-6(8)9/h7,11H,3-5H2,1-2H3,(H3,8,9)
InChIKeyMHJWVRQVPKUBAQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.03
Rot. Bonds5

About 3-(diethylamino)-3-hydroxypropanimidamide

3-(diethylamino)-3-hydroxypropanimidamide (PubChem CID 91136049) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(diethylamino)-3-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(diethylamino)-3-hydroxypropanimidamide
PubChem CID91136049
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(diethylamino)-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)CC(O)N(CC)CC
InChIInChI=1S/C7H17N3O/c1-3-10(4-2)7(11)5-6(8)9/h7,11H,3-5H2,1-2H3,(H3,8,9)
InChIKeyMHJWVRQVPKUBAQ-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(diethylamino)-3-hydroxypropanimidamide?
The IUPAC name of 3-(diethylamino)-3-hydroxypropanimidamide (CID 91136049) is 3-(diethylamino)-3-hydroxypropanimidamide.
What is the SMILES notation for 3-(diethylamino)-3-hydroxypropanimidamide?
The canonical SMILES for 3-(diethylamino)-3-hydroxypropanimidamide is [H]/N=C(\N)CC(O)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3-hydroxypropanimidamide?
The InChIKey is MHJWVRQVPKUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-10(4-2)7(11)5-6(8)9/h7,11H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 3-(diethylamino)-3-hydroxypropanimidamide?
3-(diethylamino)-3-hydroxypropanimidamide has a molecular weight of 159.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-hydroxypropanimidamide is sourced from PubChem (CID 91136049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).