N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide

C11H24N4O2 — CID 102972043

IUPACN-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCCC(OC)C1
InChIInChI=1S/C11H24N4O2/c1-9(8-16-2)13-11(14-12)15-6-4-5-10(7-15)17-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyMVRIOTFYLBKCFL-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.05
Rot. Bonds4

About N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide

N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide (PubChem CID 102972043) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
PubChem CID102972043
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCCC(OC)C1
InChIInChI=1S/C11H24N4O2/c1-9(8-16-2)13-11(14-12)15-6-4-5-10(7-15)17-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyMVRIOTFYLBKCFL-UHFFFAOYSA-N
XLogP-0.05
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 104887359
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887394
N-amino-N'-(1-methoxypropan-2-yl)-2-methylmorpholine-4-carboximidamide
CID 104883311
N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
CID 104886119
N-amino-N'-(1-methoxypropan-2-yl)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
N-amino-N'-(1-methoxypropan-2-yl)morpholine-4-carboximidamide
CID 104883236
N-amino-N'-(1-methoxypropan-2-yl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882582
N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
CID 104885840
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
CID 104887299

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide (CID 102972043) is N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide is COCC(C)/N=C(\NN)N1CCCC(OC)C1.
What is the InChIKey of N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide?
The InChIKey is MVRIOTFYLBKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-9(8-16-2)13-11(14-12)15-6-4-5-10(7-15)17-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide?
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide has a molecular weight of 244.34 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 102972043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).