N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C15H24N6 — CID 143969258

IUPACN'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCNc1ccc(C2=C(C)CCN(/C(N)=N/N(C)N)C2)cc1
InChIInChI=1S/C15H24N6/c1-11-8-9-21(15(16)19-20(3)17)10-14(11)12-4-6-13(18-2)7-5-12/h4-7,18H,8-10,17H2,1-3H3,(H2,16,19)
InChIKeyWUWHTCOZHULASY-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.24
Rot. Bonds3

About N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 143969258) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID143969258
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCNc1ccc(C2=C(C)CCN(/C(N)=N/N(C)N)C2)cc1
InChIInChI=1S/C15H24N6/c1-11-8-9-21(15(16)19-20(3)17)10-14(11)12-4-6-13(18-2)7-5-12/h4-7,18H,8-10,17H2,1-3H3,(H2,16,19)
InChIKeyWUWHTCOZHULASY-UHFFFAOYSA-N
XLogP1.24
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 143969258) is N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is CNc1ccc(C2=C(C)CCN(/C(N)=N/N(C)N)C2)cc1.
What is the InChIKey of N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is WUWHTCOZHULASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-11-8-9-21(15(16)19-20(3)17)10-14(11)12-4-6-13(18-2)7-5-12/h4-7,18H,8-10,17H2,1-3H3,(H2,16,19).
What are the key properties of N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 288.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(methyl)amino]-4-methyl-5-[4-(methylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 143969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).