trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine

C12H17N3 — CID 71072571

IUPACtrans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1/N=C/c1ccccn1
InChIInChI=1S/C12H17N3/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h3-5,8-9,11-12H,1-2,6-7,13H2/b15-9+/t11-,12-/m1/s1
InChIKeyKQBWMNORGFLPLD-ZOPJJOQRSA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds2

About trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine

trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine (PubChem CID 71072571) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
PubChem CID71072571
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nametrans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1/N=C/c1ccccn1
InChIInChI=1S/C12H17N3/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h3-5,8-9,11-12H,1-2,6-7,13H2/b15-9+/t11-,12-/m1/s1
InChIKeyKQBWMNORGFLPLD-ZOPJJOQRSA-N
XLogP1.77
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide
CID 141171562
trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
CID 139156438
1-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
CID 102110505
N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
CID 100979849
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
bis(acetonitrile);carbanide;copper;ethylideneazanide;palladium;hexakis(platinum(2+));bis(platinum(4+));propane;tris(1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine);tris(1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)cyclohexyl]methanimine);bis(trifluoromethanesulfonic acid)
CID 159530655
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
N-(1-adamantyl)-1-pyridin-2-ylmethanimine
CID 585573
1-(2-nitrophenyl)-N-[2-[(2-nitrophenyl)methylideneamino]ethyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine;1-(4-pyrrolidin-1-ylphenyl)-N-[2-[(4-pyrrolidin-1-ylphenyl)methylideneamino]cyclohexyl]methanimine
CID 159226580
cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine
CID 122530328
(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
CID 6442081
N-methylcyclohexanamine;pyridine-2-carbaldehyde
CID 153367547

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine (CID 71072571) is trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1/N=C/c1ccccn1.
What is the InChIKey of trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
The InChIKey is KQBWMNORGFLPLD-ZOPJJOQRSA-N. The full InChI is InChI=1S/C12H17N3/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h3-5,8-9,11-12H,1-2,6-7,13H2/b15-9+/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine is sourced from PubChem (CID 71072571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).