trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine

C11H17N3 — CID 93453630

IUPACtrans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1ccncc1
InChIInChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h5-8,10-11H,1-4,12H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyWGHJPYSBLSDFEQ-GHMZBOCLSA-N
MW191.28 g/mol
LogP1.76
Rot. Bonds2

About trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine

trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine (PubChem CID 93453630) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
PubChem CID93453630
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Nametrans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1ccncc1
InChIInChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h5-8,10-11H,1-4,12H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyWGHJPYSBLSDFEQ-GHMZBOCLSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
CID 102496168
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
1-N-(3-chloro-4-pyridinyl)cycloheptane-1,2-diamine
CID 79841115
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine
CID 64926899

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine (CID 93453630) is trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1Nc1ccncc1.
What is the InChIKey of trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine?
The InChIKey is WGHJPYSBLSDFEQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h5-8,10-11H,1-4,12H2,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 93453630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).