3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide

C12H24N4O2 — CID 123326464

IUPAC3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
SMILESC/N=C(/NC1CCC(O)C1)C(C)/C(N)=N/CCO
InChIInChI=1S/C12H24N4O2/c1-8(11(13)15-5-6-17)12(14-2)16-9-3-4-10(18)7-9/h8-10,17-18H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIGJGNXZJQVMFBP-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.50
Rot. Bonds5

About 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide

3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide (PubChem CID 123326464) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide.

Molecular Properties

Compound Name3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
PubChem CID123326464
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
SMILESC/N=C(/NC1CCC(O)C1)C(C)/C(N)=N/CCO
InChIInChI=1S/C12H24N4O2/c1-8(11(13)15-5-6-17)12(14-2)16-9-3-4-10(18)7-9/h8-10,17-18H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyIGJGNXZJQVMFBP-UHFFFAOYSA-N
XLogP-0.50
TPSA103.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.50
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-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
The IUPAC name of 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide (CID 123326464) is 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide.
What is the SMILES notation for 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
The canonical SMILES for 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide is C/N=C(/NC1CCC(O)C1)C(C)/C(N)=N/CCO.
What is the InChIKey of 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
The InChIKey is IGJGNXZJQVMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(11(13)15-5-6-17)12(14-2)16-9-3-4-10(18)7-9/h8-10,17-18H,3-7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide has a molecular weight of 256.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide is sourced from PubChem (CID 123326464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).