4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide

C12H18N4 — CID 62924606

IUPAC4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)CC2CCC2)ccn1
InChIInChI=1S/C12H18N4/c1-16(8-9-3-2-4-9)10-5-6-15-11(7-10)12(13)14/h5-7,9H,2-4,8H2,1H3,(H3,13,14)
InChIKeyCKYAXNZLNJNFIC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds4

About 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide

4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide (PubChem CID 62924606) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
PubChem CID62924606
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)CC2CCC2)ccn1
InChIInChI=1S/C12H18N4/c1-16(8-9-3-2-4-9)10-5-6-15-11(7-10)12(13)14/h5-7,9H,2-4,8H2,1H3,(H3,13,14)
InChIKeyCKYAXNZLNJNFIC-UHFFFAOYSA-N
XLogP1.60
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.60
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

4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
CID 79314423
4-[cyclohexyl(ethyl)amino]pyridine-2-carboximidamide
CID 62926833
2-bromo-4-[cyclobutylmethyl(methyl)amino]benzenecarboximidamide
CID 107279277
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 62860621
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide (CID 62924606) is 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N(C)CC2CCC2)ccn1.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide?
The InChIKey is CKYAXNZLNJNFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(8-9-3-2-4-9)10-5-6-15-11(7-10)12(13)14/h5-7,9H,2-4,8H2,1H3,(H3,13,14).
What are the key properties of 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide?
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide has a molecular weight of 218.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 62924606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).