4-[(methylideneamino)methyl]piperidine-1-carboximidamide

C8H16N4 — CID 58804643

IUPAC4-[(methylideneamino)methyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CN=C)CC1
InChIInChI=1S/C8H16N4/c1-11-6-7-2-4-12(5-3-7)8(9)10/h7H,1-6H2,(H3,9,10)
InChIKeyVVNCSTPSHHUEEO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.29
Rot. Bonds2

About 4-[(methylideneamino)methyl]piperidine-1-carboximidamide

4-[(methylideneamino)methyl]piperidine-1-carboximidamide (PubChem CID 58804643) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-[(methylideneamino)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[(methylideneamino)methyl]piperidine-1-carboximidamide
PubChem CID58804643
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-[(methylideneamino)methyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CN=C)CC1
InChIInChI=1S/C8H16N4/c1-11-6-7-2-4-12(5-3-7)8(9)10/h7H,1-6H2,(H3,9,10)
InChIKeyVVNCSTPSHHUEEO-UHFFFAOYSA-N
XLogP0.29
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
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-(Aminomethyl)piperidine-1-carboximidamide dihydrochloride
CID 2756503
4-(Aminomethyl)piperidine-1-carboximidamide
CID 2756504
4-Methylpiperidine-1-carboximidamide
CID 3056395
N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 83035532
N'-(3-fluoropropyl)-4-methylpiperidine-1-carboximidamide
CID 112332791
4-(2-Fluoroethyl)piperidine-1-carboximidamide
CID 121201056
4-Aminomethyl-piperidine-1-carboxamidine hydrochloride
CID 17794943
4-[2-(Methylamino)ethyl]piperidine-1-carboximidamide
CID 20641645
4-(Methylaminomethyl)piperidine-1-carboximidamide
CID 20641650
1-(1-Carbamimidoylpiperidin-4-yl)ethylazanide
CID 21018789
4-Propan-2-ylpiperidine-1-carboximidamide
CID 21018809
4-(2-Aminoethyl)piperidine-1-carboximidamide
CID 22257598

Frequently Asked Questions

What is the IUPAC name of 4-[(methylideneamino)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[(methylideneamino)methyl]piperidine-1-carboximidamide (CID 58804643) is 4-[(methylideneamino)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[(methylideneamino)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[(methylideneamino)methyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CN=C)CC1.
What is the InChIKey of 4-[(methylideneamino)methyl]piperidine-1-carboximidamide?
The InChIKey is VVNCSTPSHHUEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-11-6-7-2-4-12(5-3-7)8(9)10/h7H,1-6H2,(H3,9,10).
What are the key properties of 4-[(methylideneamino)methyl]piperidine-1-carboximidamide?
4-[(methylideneamino)methyl]piperidine-1-carboximidamide has a molecular weight of 168.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(methylideneamino)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 58804643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).