3-(cyclopropylmethoxymethoxy)benzenecarboximidamide

C12H16N2O2 — CID 106929697

IUPAC3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCOCC2CC2)c1
InChIInChI=1S/C12H16N2O2/c13-12(14)10-2-1-3-11(6-10)16-8-15-7-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H3,13,14)
InChIKeyAYFBRPBUVYVAMN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.73
Rot. Bonds6

About 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide

3-(cyclopropylmethoxymethoxy)benzenecarboximidamide (PubChem CID 106929697) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
PubChem CID106929697
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCOCC2CC2)c1
InChIInChI=1S/C12H16N2O2/c13-12(14)10-2-1-3-11(6-10)16-8-15-7-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H3,13,14)
InChIKeyAYFBRPBUVYVAMN-UHFFFAOYSA-N
XLogP1.73
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
3-[3-(4-carbamimidoylphenoxy)-2-hydroxypropoxy]benzenecarboximidamide
CID 141009968
3-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 61491165
[4-(phenoxymethoxymethyl)cyclohexyl]methyl benzoate
CID 20596857
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide?
The IUPAC name of 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide (CID 106929697) is 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide?
The canonical SMILES for 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCOCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide?
The InChIKey is AYFBRPBUVYVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(14)10-2-1-3-11(6-10)16-8-15-7-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H3,13,14).
What are the key properties of 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide?
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide has a molecular weight of 220.27 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethoxy)benzenecarboximidamide is sourced from PubChem (CID 106929697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).