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

C11H24N2 — CID 139815756

IUPACtrans-(1S,2S)-cycloundecane-1,2-diamine
SMILESN[C@H]1CCCCCCCCC[C@@H]1N
InChIInChI=1S/C11H24N2/c12-10-8-6-4-2-1-3-5-7-9-11(10)13/h10-11H,1-9,12-13H2/t10-,11-/m0/s1
InChIKeyQMMLYSYSLFEGJU-QWRGUYRKSA-N
MW184.33 g/mol
LogP2.17
Rot. Bonds

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

trans-(1S,2S)-cycloundecane-1,2-diamine (PubChem CID 139815756) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is trans-(1S,2S)-cycloundecane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-cycloundecane-1,2-diamine
PubChem CID139815756
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nametrans-(1S,2S)-cycloundecane-1,2-diamine
SMILESN[C@H]1CCCCCCCCC[C@@H]1N
InChIInChI=1S/C11H24N2/c12-10-8-6-4-2-1-3-5-7-9-11(10)13/h10-11H,1-9,12-13H2/t10-,11-/m0/s1
InChIKeyQMMLYSYSLFEGJU-QWRGUYRKSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343
cis-(1R,2S)-2-aminocyclononan-1-ol
CID 130765109
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
acetic acid;cyclohexane-1,2-diamine
CID 67321744
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-cycloundecane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-cycloundecane-1,2-diamine (CID 139815756) is trans-(1S,2S)-cycloundecane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-cycloundecane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-cycloundecane-1,2-diamine is N[C@H]1CCCCCCCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-cycloundecane-1,2-diamine?
The InChIKey is QMMLYSYSLFEGJU-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H24N2/c12-10-8-6-4-2-1-3-5-7-9-11(10)13/h10-11H,1-9,12-13H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-cycloundecane-1,2-diamine?
trans-(1S,2S)-cycloundecane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-cycloundecane-1,2-diamine is sourced from PubChem (CID 139815756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).