cis-(1S,3R)-cyclohexane-1,3-diamine

C6H14N2 — CID 6998900

IUPACcis-(1S,3R)-cyclohexane-1,3-diamine
SMILESN[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2/t5-,6+
InChIKeyGEQHKFFSPGPGLN-OLQVQODUSA-N
MW114.19 g/mol
LogP0.22
Rot. Bonds

About cis-(1S,3R)-cyclohexane-1,3-diamine

cis-(1S,3R)-cyclohexane-1,3-diamine (PubChem CID 6998900) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is cis-(1S,3R)-cyclohexane-1,3-diamine.

Molecular Properties

Compound Namecis-(1S,3R)-cyclohexane-1,3-diamine
PubChem CID6998900
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namecis-(1S,3R)-cyclohexane-1,3-diamine
SMILESN[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2/t5-,6+
InChIKeyGEQHKFFSPGPGLN-OLQVQODUSA-N
XLogP0.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexylamine
CID 7965
1,2-Diaminocyclohexane
CID 4610
1,2-Diaminocyclohexane, trans-
CID 43806
1,4-Diaminocyclohexane
CID 18374
1,3-Cyclohexanediamine
CID 18814
1,2-Diaminocyclohexane, (+)-
CID 479307
Cyclohexylamine hydrochloride
CID 2723770
Cyclohexylazanium;chloride
CID 21097
Cyclohexylammonium Ion
CID 1549093
Cyclohexylammonium bromide
CID 117303
1,2-Diaminocyclohexane, cis-
CID 342917
r-1,2-Diaminocyclohexane
CID 374014

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-cyclohexane-1,3-diamine?
The IUPAC name of cis-(1S,3R)-cyclohexane-1,3-diamine (CID 6998900) is cis-(1S,3R)-cyclohexane-1,3-diamine.
What is the SMILES notation for cis-(1S,3R)-cyclohexane-1,3-diamine?
The canonical SMILES for cis-(1S,3R)-cyclohexane-1,3-diamine is N[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-cyclohexane-1,3-diamine?
The InChIKey is GEQHKFFSPGPGLN-OLQVQODUSA-N. The full InChI is InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2/t5-,6+.
What are the key properties of cis-(1S,3R)-cyclohexane-1,3-diamine?
cis-(1S,3R)-cyclohexane-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-cyclohexane-1,3-diamine is sourced from PubChem (CID 6998900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).