3-[bis(2-hydroxyethyl)amino]pentanimidamide

C9H21N3O2 — CID 61233575

IUPAC3-[bis(2-hydroxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCO)CCO
InChIInChI=1S/C9H21N3O2/c1-2-8(7-9(10)11)12(3-5-13)4-6-14/h8,13-14H,2-7H2,1H3,(H3,10,11)
InChIKeyGSRVYOSMQKAGDX-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.62
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]pentanimidamide

3-[bis(2-hydroxyethyl)amino]pentanimidamide (PubChem CID 61233575) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]pentanimidamide
PubChem CID61233575
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[bis(2-hydroxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCO)CCO
InChIInChI=1S/C9H21N3O2/c1-2-8(7-9(10)11)12(3-5-13)4-6-14/h8,13-14H,2-7H2,1H3,(H3,10,11)
InChIKeyGSRVYOSMQKAGDX-UHFFFAOYSA-N
XLogP-0.62
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.62
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 3-[bis(2-hydroxyethyl)amino]pentanimidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]pentanimidamide (CID 61233575) is 3-[bis(2-hydroxyethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]pentanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]pentanimidamide?
The InChIKey is GSRVYOSMQKAGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-2-8(7-9(10)11)12(3-5-13)4-6-14/h8,13-14H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]pentanimidamide?
3-[bis(2-hydroxyethyl)amino]pentanimidamide has a molecular weight of 203.29 g/mol, XLogP of -0.62, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]pentanimidamide is sourced from PubChem (CID 61233575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).