(NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide

C10H19N5 — CID 143124285

IUPAC(NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(/N=C(/N)C(=C)C)N1CCN(C)CC1
InChIInChI=1S/C10H19N5/c1-8(2)9(11)13-10(12)15-6-4-14(3)5-7-15/h1,4-7H2,2-3H3,(H3,11,12,13)
InChIKeyJYJGNZFDVHGCPA-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.10
Rot. Bonds1

About (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide

(NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide (PubChem CID 143124285) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name(NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide
PubChem CID143124285
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(/N=C(/N)C(=C)C)N1CCN(C)CC1
InChIInChI=1S/C10H19N5/c1-8(2)9(11)13-10(12)15-6-4-14(3)5-7-15/h1,4-7H2,2-3H3,(H3,11,12,13)
InChIKeyJYJGNZFDVHGCPA-UHFFFAOYSA-N
XLogP0.10
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide (CID 143124285) is (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide is [H]/N=C(/N=C(/N)C(=C)C)N1CCN(C)CC1.
What is the InChIKey of (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide?
The InChIKey is JYJGNZFDVHGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8(2)9(11)13-10(12)15-6-4-14(3)5-7-15/h1,4-7H2,2-3H3,(H3,11,12,13).
What are the key properties of (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide?
(NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide has a molecular weight of 209.30 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-amino-2-methylprop-2-enylidene)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 143124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).