N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide

C9H16N4 — CID 153403595

IUPACN-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide
SMILESC=N/C=N\C(=C)NC1CCCNC1
InChIInChI=1S/C9H16N4/c1-8(12-7-10-2)13-9-4-3-5-11-6-9/h7,9,11,13H,1-6H2/b12-7-
InChIKeySZNQCSVERRCFEQ-GHXNOFRVSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds4

About N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide

N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide (PubChem CID 153403595) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide
PubChem CID153403595
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide
SMILESC=N/C=N\C(=C)NC1CCCNC1
InChIInChI=1S/C9H16N4/c1-8(12-7-10-2)13-9-4-3-5-11-6-9/h7,9,11,13H,1-6H2/b12-7-
InChIKeySZNQCSVERRCFEQ-GHXNOFRVSA-N
XLogP0.53
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide?
The IUPAC name of N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide (CID 153403595) is N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide.
What is the SMILES notation for N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide?
The canonical SMILES for N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide is C=N/C=N\C(=C)NC1CCCNC1.
What is the InChIKey of N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide?
The InChIKey is SZNQCSVERRCFEQ-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(12-7-10-2)13-9-4-3-5-11-6-9/h7,9,11,13H,1-6H2/b12-7-.
What are the key properties of N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide?
N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide is sourced from PubChem (CID 153403595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).