2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide

C13H22N4 — CID 114768874

IUPAC2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC)C(C)C)c1
InChIInChI=1S/C13H22N4/c1-5-6-17(9(2)3)12-8-11(13(14)15)7-10(4)16-12/h7-9H,5-6H2,1-4H3,(H3,14,15)
InChIKeyRYUZZQZAKSZLFT-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.30
Rot. Bonds5

About 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide

2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide (PubChem CID 114768874) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
PubChem CID114768874
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CCC)C(C)C)c1
InChIInChI=1S/C13H22N4/c1-5-6-17(9(2)3)12-8-11(13(14)15)7-10(4)16-12/h7-9H,5-6H2,1-4H3,(H3,14,15)
InChIKeyRYUZZQZAKSZLFT-UHFFFAOYSA-N
XLogP2.30
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.30
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

2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 137013492
2-[2-methoxyethyl(2-methylpropyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768958
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768980
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
CID 114769147
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
CID 114768994
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide (CID 114768874) is 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CCC)C(C)C)c1.
What is the InChIKey of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide?
The InChIKey is RYUZZQZAKSZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-5-6-17(9(2)3)12-8-11(13(14)15)7-10(4)16-12/h7-9H,5-6H2,1-4H3,(H3,14,15).
What are the key properties of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide?
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide has a molecular weight of 234.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 114768874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).