N'-(2-methoxyethyl)cyclopentanecarboximidamide

C9H18N2O — CID 63174183

IUPACN'-(2-methoxyethyl)cyclopentanecarboximidamide
SMILESCOCC/N=C(\N)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-12-7-6-11-9(10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeySBIBYELGSCRETH-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.18
Rot. Bonds4

About N'-(2-methoxyethyl)cyclopentanecarboximidamide

N'-(2-methoxyethyl)cyclopentanecarboximidamide (PubChem CID 63174183) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-(2-methoxyethyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)cyclopentanecarboximidamide
PubChem CID63174183
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN'-(2-methoxyethyl)cyclopentanecarboximidamide
SMILESCOCC/N=C(\N)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-12-7-6-11-9(10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeySBIBYELGSCRETH-UHFFFAOYSA-N
XLogP1.18
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(2-methoxyethyl)cyclopentanecarboximidamide (CID 63174183) is N'-(2-methoxyethyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(2-methoxyethyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(2-methoxyethyl)cyclopentanecarboximidamide is COCC/N=C(\N)C1CCCC1.
What is the InChIKey of N'-(2-methoxyethyl)cyclopentanecarboximidamide?
The InChIKey is SBIBYELGSCRETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-7-6-11-9(10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-(2-methoxyethyl)cyclopentanecarboximidamide?
N'-(2-methoxyethyl)cyclopentanecarboximidamide has a molecular weight of 170.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63174183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).