N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide

C12H18N4 — CID 141171562

IUPACN'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide
SMILESN/C(=N\[C@@H]1CCCC[C@@H]1N)c1ccccn1
InChIInChI=1S/C12H18N4/c13-9-5-1-2-6-10(9)16-12(14)11-7-3-4-8-15-11/h3-4,7-10H,1-2,5-6,13H2,(H2,14,16)/t9-,10+/m0/s1
InChIKeyCLZMZLXWLABKEY-VHSXEESVSA-N
MW218.30 g/mol
LogP1.06
Rot. Bonds2

About N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide

N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide (PubChem CID 141171562) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide
PubChem CID141171562
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide
SMILESN/C(=N\[C@@H]1CCCC[C@@H]1N)c1ccccn1
InChIInChI=1S/C12H18N4/c13-9-5-1-2-6-10(9)16-12(14)11-7-3-4-8-15-11/h3-4,7-10H,1-2,5-6,13H2,(H2,14,16)/t9-,10+/m0/s1
InChIKeyCLZMZLXWLABKEY-VHSXEESVSA-N
XLogP1.06
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.06
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

1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464
trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
CID 71072571
N'-aminopyridine-2-carboximidamide
CID 5464234
[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
CID 5349701
N-amino-N'-cycloheptylpyridine-2-carboximidamide
CID 61361948
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
pyridine-2-carbothioamide;hydrochloride
CID 57440257
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
(2-cyclohexylimino-1-pyridinyl)-pyridin-2-ylmethanone
CID 16626228
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide (CID 141171562) is N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide is N/C(=N\[C@@H]1CCCC[C@@H]1N)c1ccccn1.
What is the InChIKey of N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide?
The InChIKey is CLZMZLXWLABKEY-VHSXEESVSA-N. The full InChI is InChI=1S/C12H18N4/c13-9-5-1-2-6-10(9)16-12(14)11-7-3-4-8-15-11/h3-4,7-10H,1-2,5-6,13H2,(H2,14,16)/t9-,10+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide?
N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide has a molecular weight of 218.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide is sourced from PubChem (CID 141171562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).