5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide

C11H25N3O2 — CID 65258965

IUPAC5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)CCO
InChIInChI=1S/C11H25N3O2/c1-11(2,10(12)13)4-3-5-14(6-8-15)7-9-16/h15-16H,3-9H2,1-2H3,(H3,12,13)
InChIKeyWGVXKLXRFRRUKP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.02
Rot. Bonds9

About 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide

5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258965) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258965
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)CCO
InChIInChI=1S/C11H25N3O2/c1-11(2,10(12)13)4-3-5-14(6-8-15)7-9-16/h15-16H,3-9H2,1-2H3,(H3,12,13)
InChIKeyWGVXKLXRFRRUKP-UHFFFAOYSA-N
XLogP0.02
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide (CID 65258965) is 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCO)CCO.
What is the InChIKey of 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is WGVXKLXRFRRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-11(2,10(12)13)4-3-5-14(6-8-15)7-9-16/h15-16H,3-9H2,1-2H3,(H3,12,13).
What are the key properties of 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.02, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).