3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C14H29N3O2 — CID 77054359

IUPAC3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N3O2/c1-11-4-5-13(10-12(11)2)17(8-9-19-3)7-6-14(15)16-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16)
InChIKeySKGPQCOZCCXITG-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.90
Rot. Bonds7

About 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77054359) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID77054359
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N3O2/c1-11-4-5-13(10-12(11)2)17(8-9-19-3)7-6-14(15)16-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16)
InChIKeySKGPQCOZCCXITG-UHFFFAOYSA-N
XLogP1.90
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 77054359) is 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCC(N)=NO)C1CCC(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is SKGPQCOZCCXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11-4-5-13(10-12(11)2)17(8-9-19-3)7-6-14(15)16-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77054359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).