2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide

C11H23N3O2 — CID 65492733

IUPAC2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC(O)COC)CC1
InChIInChI=1S/C11H23N3O2/c1-14(6-9(15)7-16-2)8-11(3-4-11)5-10(12)13/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyYTJFWFBJJAKTTA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.03
Rot. Bonds8

About 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide

2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65492733) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID65492733
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC(O)COC)CC1
InChIInChI=1S/C11H23N3O2/c1-14(6-9(15)7-16-2)8-11(3-4-11)5-10(12)13/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyYTJFWFBJJAKTTA-UHFFFAOYSA-N
XLogP0.03
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
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 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide (CID 65492733) is 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(C)CC(O)COC)CC1.
What is the InChIKey of 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is YTJFWFBJJAKTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-14(6-9(15)7-16-2)8-11(3-4-11)5-10(12)13/h9,15H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).