N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide

C11H21N3O — CID 102963271

IUPACN'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CC2)CCC1C
InChIInChI=1S/C11H21N3O/c1-8-5-6-14(7-10(8)15-2)11(12)13-9-3-4-9/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOWEBHEDRLDHUBK-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.82
Rot. Bonds2

About N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide

N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102963271) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102963271
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CC2)CCC1C
InChIInChI=1S/C11H21N3O/c1-8-5-6-14(7-10(8)15-2)11(12)13-9-3-4-9/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOWEBHEDRLDHUBK-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.82
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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Related Compounds

N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 55063812
N'-cyclopentyl-3-propoxypiperidine-1-carboximidamide
CID 55063963
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
CID 62358419
N'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
1-(1-Cyclopropylethyl)-2-ethyl-1-(2-methoxyethyl)guanidine
CID 62361696
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine
CID 62361697
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine
CID 62361698
N'-cyclopropyl-5-ethyl-2-methylmorpholine-4-carboximidamide
CID 62361902

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102963271) is N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide is COC1CN(/C(N)=N/C2CC2)CCC1C.
What is the InChIKey of N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is OWEBHEDRLDHUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8-5-6-14(7-10(8)15-2)11(12)13-9-3-4-9/h8-10H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide?
N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).