N-(4-hydroxycyclohexyl)-N'-methylethanimidamide

C9H18N2O — CID 123778544

IUPACN-(4-hydroxycyclohexyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NC1CCC(O)CC1
InChIInChI=1S/C9H18N2O/c1-7(10-2)11-8-3-5-9(12)6-4-8/h8-9,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyHMIWWNGVUOYTAI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds1

About N-(4-hydroxycyclohexyl)-N'-methylethanimidamide

N-(4-hydroxycyclohexyl)-N'-methylethanimidamide (PubChem CID 123778544) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N'-methylethanimidamide
PubChem CID123778544
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(4-hydroxycyclohexyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NC1CCC(O)CC1
InChIInChI=1S/C9H18N2O/c1-7(10-2)11-8-3-5-9(12)6-4-8/h8-9,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyHMIWWNGVUOYTAI-UHFFFAOYSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-(4-hydroxycyclohexyl)-N'-methylethanimidamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N'-methylethanimidamide (CID 123778544) is N-(4-hydroxycyclohexyl)-N'-methylethanimidamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N'-methylethanimidamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N'-methylethanimidamide is C/N=C(\C)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N'-methylethanimidamide?
The InChIKey is HMIWWNGVUOYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(10-2)11-8-3-5-9(12)6-4-8/h8-9,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(4-hydroxycyclohexyl)-N'-methylethanimidamide?
N-(4-hydroxycyclohexyl)-N'-methylethanimidamide has a molecular weight of 170.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N'-methylethanimidamide is sourced from PubChem (CID 123778544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).