3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide

C12H24N4O2 — CID 123238034

IUPAC3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
SMILESC/N=C(/C/C(N)=N/C1(C)CCOCC1)NCCO
InChIInChI=1S/C12H24N4O2/c1-12(3-7-18-8-4-12)16-10(13)9-11(14-2)15-5-6-17/h17H,3-9H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyRYFBZCZXSZFUKJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.09
Rot. Bonds5

About 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide

3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide (PubChem CID 123238034) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide.

Molecular Properties

Compound Name3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
PubChem CID123238034
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
SMILESC/N=C(/C/C(N)=N/C1(C)CCOCC1)NCCO
InChIInChI=1S/C12H24N4O2/c1-12(3-7-18-8-4-12)16-10(13)9-11(14-2)15-5-6-17/h17H,3-9H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyRYFBZCZXSZFUKJ-UHFFFAOYSA-N
XLogP-0.09
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.09
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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Related Compounds

[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
CID 106297496
[4-(2,3,4,5-Tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
CID 106297711
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide
CID 106299249
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide
CID 106299253

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide?
The IUPAC name of 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide (CID 123238034) is 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide.
What is the SMILES notation for 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide?
The canonical SMILES for 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide is C/N=C(/C/C(N)=N/C1(C)CCOCC1)NCCO.
What is the InChIKey of 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide?
The InChIKey is RYFBZCZXSZFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(3-7-18-8-4-12)16-10(13)9-11(14-2)15-5-6-17/h17H,3-9H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide?
3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide has a molecular weight of 256.35 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide is sourced from PubChem (CID 123238034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).