trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine

C8H18N2 — CID 15141092

IUPACtrans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine
SMILESC[C@]1(N)CCCC[C@]1(C)N
InChIInChI=1S/C8H18N2/c1-7(9)5-3-4-6-8(7,2)10/h3-6,9-10H2,1-2H3/t7-,8-/m0/s1
InChIKeyVEKWVLWWZITZTK-YUMQZZPRSA-N
MW142.25 g/mol
LogP1.00
Rot. Bonds

About trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine

trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine (PubChem CID 15141092) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine
PubChem CID15141092
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nametrans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine
SMILESC[C@]1(N)CCCC[C@]1(C)N
InChIInChI=1S/C8H18N2/c1-7(9)5-3-4-6-8(7,2)10/h3-6,9-10H2,1-2H3/t7-,8-/m0/s1
InChIKeyVEKWVLWWZITZTK-YUMQZZPRSA-N
XLogP1.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine (CID 15141092) is trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine is C[C@]1(N)CCCC[C@]1(C)N.
What is the InChIKey of trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine?
The InChIKey is VEKWVLWWZITZTK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(9)5-3-4-6-8(7,2)10/h3-6,9-10H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine?
trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 15141092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).