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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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).