1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide

C12H24N2O — CID 116779982

IUPAC1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide
SMILESCCC/N=C(\N)C1(OC)CCCC(C)C1
InChIInChI=1S/C12H24N2O/c1-4-8-14-11(13)12(15-3)7-5-6-10(2)9-12/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyYAKSHGIDABDZTI-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.35
Rot. Bonds4

About 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide

1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide (PubChem CID 116779982) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide
PubChem CID116779982
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide
SMILESCCC/N=C(\N)C1(OC)CCCC(C)C1
InChIInChI=1S/C12H24N2O/c1-4-8-14-11(13)12(15-3)7-5-6-10(2)9-12/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyYAKSHGIDABDZTI-UHFFFAOYSA-N
XLogP2.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.35
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 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide?
The IUPAC name of 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide (CID 116779982) is 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide is CCC/N=C(\N)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide?
The InChIKey is YAKSHGIDABDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-8-14-11(13)12(15-3)7-5-6-10(2)9-12/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide?
1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N'-propylcyclohexane-1-carboximidamide is sourced from PubChem (CID 116779982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).