trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine

C12H24N2 — CID 46176571

IUPACtrans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NC1CCCCC1
InChIInChI=1S/C12H24N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h10-12,14H,1-9,13H2/t11-,12-/m1/s1
InChIKeyWPHMAFXLKAGEKZ-VXGBXAGGSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds2

About trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine

trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine (PubChem CID 46176571) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine
PubChem CID46176571
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nametrans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NC1CCCCC1
InChIInChI=1S/C12H24N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h10-12,14H,1-9,13H2/t11-,12-/m1/s1
InChIKeyWPHMAFXLKAGEKZ-VXGBXAGGSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine (CID 46176571) is trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1NC1CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine?
The InChIKey is WPHMAFXLKAGEKZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h10-12,14H,1-9,13H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine is sourced from PubChem (CID 46176571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).