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

C8H18N2 — CID 2733821

IUPACtrans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN[C@@H]1CCCC[C@H]1NC
InChIInChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJRHPOFJADXHYBR-HTQZYQBOSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds2

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

trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 2733821) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID2733821
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nametrans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN[C@@H]1CCCC[C@H]1NC
InChIInChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJRHPOFJADXHYBR-HTQZYQBOSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 2733821) is trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN[C@@H]1CCCC[C@H]1NC.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is JRHPOFJADXHYBR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 2733821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).