N'-[(1-methoxycyclopentyl)methyl]ethanimidamide

C9H18N2O — CID 130626057

IUPACN'-[(1-methoxycyclopentyl)methyl]ethanimidamide
SMILESCOC1(C/N=C(\C)N)CCCC1
InChIInChI=1S/C9H18N2O/c1-8(10)11-7-9(12-2)5-3-4-6-9/h3-7H2,1-2H3,(H2,10,11)
InChIKeyIJTFINVIINUHQI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.32
Rot. Bonds3

About N'-[(1-methoxycyclopentyl)methyl]ethanimidamide

N'-[(1-methoxycyclopentyl)methyl]ethanimidamide (PubChem CID 130626057) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-[(1-methoxycyclopentyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1-methoxycyclopentyl)methyl]ethanimidamide
PubChem CID130626057
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN'-[(1-methoxycyclopentyl)methyl]ethanimidamide
SMILESCOC1(C/N=C(\C)N)CCCC1
InChIInChI=1S/C9H18N2O/c1-8(10)11-7-9(12-2)5-3-4-6-9/h3-7H2,1-2H3,(H2,10,11)
InChIKeyIJTFINVIINUHQI-UHFFFAOYSA-N
XLogP1.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-[(1-methoxycyclopentyl)methyl]ethanimidamide?
The IUPAC name of N'-[(1-methoxycyclopentyl)methyl]ethanimidamide (CID 130626057) is N'-[(1-methoxycyclopentyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(1-methoxycyclopentyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(1-methoxycyclopentyl)methyl]ethanimidamide is COC1(C/N=C(\C)N)CCCC1.
What is the InChIKey of N'-[(1-methoxycyclopentyl)methyl]ethanimidamide?
The InChIKey is IJTFINVIINUHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(10)11-7-9(12-2)5-3-4-6-9/h3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-[(1-methoxycyclopentyl)methyl]ethanimidamide?
N'-[(1-methoxycyclopentyl)methyl]ethanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methoxycyclopentyl)methyl]ethanimidamide is sourced from PubChem (CID 130626057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).