3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide

C13H27N3O — CID 55171333

IUPAC3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-17-10-9-16(8-7-13(14)15)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H3,14,15)
InChIKeyDQOZORSLAOABJL-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.84
Rot. Bonds8

About 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide

3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide (PubChem CID 55171333) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide
PubChem CID55171333
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-17-10-9-16(8-7-13(14)15)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H3,14,15)
InChIKeyDQOZORSLAOABJL-UHFFFAOYSA-N
XLogP1.84
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide (CID 55171333) is 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide?
The InChIKey is DQOZORSLAOABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-17-10-9-16(8-7-13(14)15)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H3,14,15).
What are the key properties of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide?
3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 55171333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).