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

C8H18N2 — CID 55281085

IUPACtrans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine
SMILESCCN[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C8H18N2/c1-2-10-8-6-4-3-5-7(8)9/h7-8,10H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyQPURWOMXQWVYKL-HTQZYQBOSA-N
MW142.25 g/mol
LogP0.87
Rot. Bonds2

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

trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine (PubChem CID 55281085) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine
PubChem CID55281085
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nametrans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine
SMILESCCN[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C8H18N2/c1-2-10-8-6-4-3-5-7(8)9/h7-8,10H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyQPURWOMXQWVYKL-HTQZYQBOSA-N
XLogP0.87
TPSA38.05 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 ≤ 50.87
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-ethylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine (CID 55281085) is trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine is CCN[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine?
The InChIKey is QPURWOMXQWVYKL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-10-8-6-4-3-5-7(8)9/h7-8,10H,2-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-ethylcyclohexane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.87, 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-ethylcyclohexane-1,2-diamine is sourced from PubChem (CID 55281085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).