2-(1,3-dioxolan-4-yl)heptanimidamide

C10H20N2O2 — CID 67748950

IUPAC2-(1,3-dioxolan-4-yl)heptanimidamide
SMILES[H]/N=C(\N)C(CCCCC)C1COCO1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-8(10(11)12)9-6-13-7-14-9/h8-9H,2-7H2,1H3,(H3,11,12)
InChIKeyRGGDEAKLIHEONJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.49
Rot. Bonds6

About 2-(1,3-dioxolan-4-yl)heptanimidamide

2-(1,3-dioxolan-4-yl)heptanimidamide (PubChem CID 67748950) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-yl)heptanimidamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-yl)heptanimidamide
PubChem CID67748950
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(1,3-dioxolan-4-yl)heptanimidamide
SMILES[H]/N=C(\N)C(CCCCC)C1COCO1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-8(10(11)12)9-6-13-7-14-9/h8-9H,2-7H2,1H3,(H3,11,12)
InChIKeyRGGDEAKLIHEONJ-UHFFFAOYSA-N
XLogP1.49
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxolan-4-yl)heptanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-yl)heptanimidamide?
The IUPAC name of 2-(1,3-dioxolan-4-yl)heptanimidamide (CID 67748950) is 2-(1,3-dioxolan-4-yl)heptanimidamide.
What is the SMILES notation for 2-(1,3-dioxolan-4-yl)heptanimidamide?
The canonical SMILES for 2-(1,3-dioxolan-4-yl)heptanimidamide is [H]/N=C(\N)C(CCCCC)C1COCO1.
What is the InChIKey of 2-(1,3-dioxolan-4-yl)heptanimidamide?
The InChIKey is RGGDEAKLIHEONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-5-8(10(11)12)9-6-13-7-14-9/h8-9H,2-7H2,1H3,(H3,11,12).
What are the key properties of 2-(1,3-dioxolan-4-yl)heptanimidamide?
2-(1,3-dioxolan-4-yl)heptanimidamide has a molecular weight of 200.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-yl)heptanimidamide is sourced from PubChem (CID 67748950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).