N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide

C8H17N5O — CID 102963277

IUPACN-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC(OC)C1
InChIInChI=1S/C8H17N5O/c1-14-6-3-2-4-13(5-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12)
InChIKeyXVBWTYGWEBZPSE-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.69
Rot. Bonds1

About N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide

N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide (PubChem CID 102963277) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
PubChem CID102963277
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC(OC)C1
InChIInChI=1S/C8H17N5O/c1-14-6-3-2-4-13(5-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12)
InChIKeyXVBWTYGWEBZPSE-UHFFFAOYSA-N
XLogP-0.69
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.69
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

(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
3-methoxypiperidine-1-carboximidamide
CID 19089238
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348
1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 102971289
3-methoxypiperidine-1-carbothioamide
CID 102963097
N-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide
CID 114679013
N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 83036980
N-(diaminomethylidene)-4-ethoxypiperidine-1-carboximidamide
CID 83031921
3-(4-tert-butylphenyl)-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 145413346
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
CID 83034907

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide (CID 102963277) is N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCCC(OC)C1.
What is the InChIKey of N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide?
The InChIKey is XVBWTYGWEBZPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-14-6-3-2-4-13(5-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12).
What are the key properties of N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide?
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide has a molecular weight of 199.26 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide is sourced from PubChem (CID 102963277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).