5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide

C15H26N4 — CID 115489703

IUPAC5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)C(CC)CC)cn1
InChIInChI=1S/C15H26N4/c1-5-12(6-2)19(10-11(3)4)13-7-8-14(15(16)17)18-9-13/h7-9,11-12H,5-6,10H2,1-4H3,(H3,16,17)
InChIKeyTXSUKBQTHYKVCP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds7

About 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide

5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide (PubChem CID 115489703) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
PubChem CID115489703
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)C(CC)CC)cn1
InChIInChI=1S/C15H26N4/c1-5-12(6-2)19(10-11(3)4)13-7-8-14(15(16)17)18-9-13/h7-9,11-12H,5-6,10H2,1-4H3,(H3,16,17)
InChIKeyTXSUKBQTHYKVCP-UHFFFAOYSA-N
XLogP3.02
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
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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Related Compounds

5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
CID 115489592
1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
CID 83131569
5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
CID 115489614
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
5-(propan-2-ylamino)pyridine-2-carboximidamide
CID 115489626
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 115489551
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide?
The IUPAC name of 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide (CID 115489703) is 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(CC(C)C)C(CC)CC)cn1.
What is the InChIKey of 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide?
The InChIKey is TXSUKBQTHYKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-12(6-2)19(10-11(3)4)13-7-8-14(15(16)17)18-9-13/h7-9,11-12H,5-6,10H2,1-4H3,(H3,16,17).
What are the key properties of 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide?
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide has a molecular weight of 262.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 115489703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).