2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide

C17H30N4 — CID 81037767

IUPAC2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC(C)C)C(CC)CC)cc(C)nc1C
InChIInChI=1S/C17H30N4/c1-7-14(8-2)21(10-11(3)4)15-9-12(5)20-13(6)16(15)17(18)19/h9,11,14H,7-8,10H2,1-6H3,(H3,18,19)
InChIKeyBGGCOSOQHCPMHR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.63
Rot. Bonds7

About 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide

2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide (PubChem CID 81037767) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
PubChem CID81037767
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC(C)C)C(CC)CC)cc(C)nc1C
InChIInChI=1S/C17H30N4/c1-7-14(8-2)21(10-11(3)4)15-9-12(5)20-13(6)16(15)17(18)19/h9,11,14H,7-8,10H2,1-6H3,(H3,18,19)
InChIKeyBGGCOSOQHCPMHR-UHFFFAOYSA-N
XLogP3.63
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.63
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

2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
2,6-dimethyl-4-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 81054323
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301
2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide
CID 81051981
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
4-[bis(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054896
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054890

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide (CID 81037767) is 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(CC(C)C)C(CC)CC)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide?
The InChIKey is BGGCOSOQHCPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-14(8-2)21(10-11(3)4)15-9-12(5)20-13(6)16(15)17(18)19/h9,11,14H,7-8,10H2,1-6H3,(H3,18,19).
What are the key properties of 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide?
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide has a molecular weight of 290.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81037767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).