N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide

C9H19N5O — CID 102963252

IUPACN-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(C)C(OC)C1
InChIInChI=1S/C9H19N5O/c1-6-3-4-14(5-7(6)15-2)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyOGDJIDNBGCYMDU-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.45
Rot. Bonds1

About N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide

N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide (PubChem CID 102963252) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
PubChem CID102963252
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(C)C(OC)C1
InChIInChI=1S/C9H19N5O/c1-6-3-4-14(5-7(6)15-2)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyOGDJIDNBGCYMDU-UHFFFAOYSA-N
XLogP-0.45
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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

4-(Methoxymethyl)piperidine-1-carboximidamide
CID 20641649
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
1-(2-Methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 51131563
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
3-Propoxypiperidine-1-carboximidamide
CID 61573275
3-Ethoxypiperidine-1-carboximidamide
CID 61573303
N'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
N'-ethyl-3-propoxypiperidine-1-carboximidamide
CID 62362575
3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
N'-propan-2-yl-3-propoxypiperidine-1-carboximidamide
CID 62362577

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide (CID 102963252) is N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(C)C(OC)C1.
What is the InChIKey of N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is OGDJIDNBGCYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-6-3-4-14(5-7(6)15-2)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide?
N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-methoxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).