6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide

C12H18N4 — CID 62860621

IUPAC6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCC2)nc1
InChIInChI=1S/C12H18N4/c1-16(8-9-3-2-4-9)11-6-5-10(7-15-11)12(13)14/h5-7,9H,2-4,8H2,1H3,(H3,13,14)
InChIKeyTXXFDOAOSRHQOQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds4

About 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide

6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide (PubChem CID 62860621) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide
PubChem CID62860621
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCC2)nc1
InChIInChI=1S/C12H18N4/c1-16(8-9-3-2-4-9)11-6-5-10(7-15-11)12(13)14/h5-7,9H,2-4,8H2,1H3,(H3,13,14)
InChIKeyTXXFDOAOSRHQOQ-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

6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659
6-(dicyclohexylamino)pyridine-3-carboximidamide
CID 43823179
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
CID 28799322
[6-[cyclobutylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 62861713
6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carboximidamide
CID 43563471
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboximidamide
CID 54943583
3-bromo-4-[cyclopentylmethyl(methyl)amino]benzenecarboximidamide
CID 82799214
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide (CID 62860621) is 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CCC2)nc1.
What is the InChIKey of 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide?
The InChIKey is TXXFDOAOSRHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(8-9-3-2-4-9)11-6-5-10(7-15-11)12(13)14/h5-7,9H,2-4,8H2,1H3,(H3,13,14).
What are the key properties of 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide?
6-[cyclobutylmethyl(methyl)amino]pyridine-3-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 6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 62860621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).