(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine

C14H24N6 — CID 137215416

IUPAC(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
SMILES[H]/N=C(C(/N)=C1\NC=CC=C1N(C)C)\N1CCN(C)CC1
InChIInChI=1S/C14H24N6/c1-18(2)11-5-4-6-17-13(11)12(15)14(16)20-9-7-19(3)8-10-20/h4-6,16-17H,7-10,15H2,1-3H3/b13-12+,16-14-
InChIKeyCLHWYNSSAORPAF-LIACPWMRSA-N
MW276.39 g/mol
LogP-0.06
Rot. Bonds2

About (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine

(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine (PubChem CID 137215416) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine.

Molecular Properties

Compound Name(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
PubChem CID137215416
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
SMILES[H]/N=C(C(/N)=C1\NC=CC=C1N(C)C)\N1CCN(C)CC1
InChIInChI=1S/C14H24N6/c1-18(2)11-5-4-6-17-13(11)12(15)14(16)20-9-7-19(3)8-10-20/h4-6,16-17H,7-10,15H2,1-3H3/b13-12+,16-14-
InChIKeyCLHWYNSSAORPAF-LIACPWMRSA-N
XLogP-0.06
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine?
The IUPAC name of (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine (CID 137215416) is (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine.
What is the SMILES notation for (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine?
The canonical SMILES for (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine is [H]/N=C(C(/N)=C1\NC=CC=C1N(C)C)\N1CCN(C)CC1.
What is the InChIKey of (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine?
The InChIKey is CLHWYNSSAORPAF-LIACPWMRSA-N. The full InChI is InChI=1S/C14H24N6/c1-18(2)11-5-4-6-17-13(11)12(15)14(16)20-9-7-19(3)8-10-20/h4-6,16-17H,7-10,15H2,1-3H3/b13-12+,16-14-.
What are the key properties of (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine?
(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine has a molecular weight of 276.39 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine is sourced from PubChem (CID 137215416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).