cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine

C12H24N2O — CID 129430640

IUPACcis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
SMILESCN(C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1N
InChIInChI=1S/C12H24N2O/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9,13H2,1H3/t10-,11+,12-/m0/s1
InChIKeyVEMLLQAIJFCAAS-TUAOUCFPSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds3

About cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine

cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine (PubChem CID 129430640) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
PubChem CID129430640
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namecis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
SMILESCN(C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1N
InChIInChI=1S/C12H24N2O/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9,13H2,1H3/t10-,11+,12-/m0/s1
InChIKeyVEMLLQAIJFCAAS-TUAOUCFPSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine with MolForge

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734490
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
N,4-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 81459927
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418947
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
N-methyl-N-(oxan-2-ylmethyl)oxetan-3-amine
CID 130605523

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine (CID 129430640) is cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine is CN(C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine?
The InChIKey is VEMLLQAIJFCAAS-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9,13H2,1H3/t10-,11+,12-/m0/s1.
What are the key properties of cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine?
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 129430640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).