N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide

C11H19ClN6 — CID 143906243

IUPACN'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide
SMILESCN(C)CCC(c1ccc(Cl)nc1)N(N)/N=C\N
InChIInChI=1S/C11H19ClN6/c1-17(2)6-5-10(18(14)16-8-13)9-3-4-11(12)15-7-9/h3-4,7-8,10H,5-6,14H2,1-2H3,(H2,13,16)
InChIKeySXSYKULUKRSMIY-UHFFFAOYSA-N
MW270.77 g/mol
LogP0.81
Rot. Bonds6

About N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide

N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide (PubChem CID 143906243) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide.

Molecular Properties

Compound NameN'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide
PubChem CID143906243
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC NameN'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide
SMILESCN(C)CCC(c1ccc(Cl)nc1)N(N)/N=C\N
InChIInChI=1S/C11H19ClN6/c1-17(2)6-5-10(18(14)16-8-13)9-3-4-11(12)15-7-9/h3-4,7-8,10H,5-6,14H2,1-2H3,(H2,13,16)
InChIKeySXSYKULUKRSMIY-UHFFFAOYSA-N
XLogP0.81
TPSA83.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide?
The IUPAC name of N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide (CID 143906243) is N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide.
What is the SMILES notation for N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide?
The canonical SMILES for N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide is CN(C)CCC(c1ccc(Cl)nc1)N(N)/N=C\N.
What is the InChIKey of N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide?
The InChIKey is SXSYKULUKRSMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-17(2)6-5-10(18(14)16-8-13)9-3-4-11(12)15-7-9/h3-4,7-8,10H,5-6,14H2,1-2H3,(H2,13,16).
What are the key properties of N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide?
N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide has a molecular weight of 270.77 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide is sourced from PubChem (CID 143906243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).