cyclohexane-1,1-diamine;2-methylpentane-2,4-diol

C12H28N2O2 — CID 174848693

IUPACcyclohexane-1,1-diamine;2-methylpentane-2,4-diol
SMILESCC(O)CC(C)(C)O.NC1(N)CCCCC1
InChIInChI=1S/C6H14N2.C6H14O2/c7-6(8)4-2-1-3-5-6;1-5(7)4-6(2,3)8/h1-5,7-8H2;5,7-8H,4H2,1-3H3
InChIKeyOCQLIWKRJNAZKD-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.09
Rot. Bonds2

About cyclohexane-1,1-diamine;2-methylpentane-2,4-diol

cyclohexane-1,1-diamine;2-methylpentane-2,4-diol (PubChem CID 174848693) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is cyclohexane-1,1-diamine;2-methylpentane-2,4-diol.

Molecular Properties

Compound Namecyclohexane-1,1-diamine;2-methylpentane-2,4-diol
PubChem CID174848693
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Namecyclohexane-1,1-diamine;2-methylpentane-2,4-diol
SMILESCC(O)CC(C)(C)O.NC1(N)CCCCC1
InChIInChI=1S/C6H14N2.C6H14O2/c7-6(8)4-2-1-3-5-6;1-5(7)4-6(2,3)8/h1-5,7-8H2;5,7-8H,4H2,1-3H3
InChIKeyOCQLIWKRJNAZKD-UHFFFAOYSA-N
XLogP1.09
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylpentane-2,4-diol
CID 7870
cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 70518609
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1-(1-aminocycloheptyl)propan-2-ol
CID 115013932
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
benzene-1,2-diamine;2-methylpentane-2,4-diol
CID 174865255
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
4-methylheptane-2,4,6-triol
CID 90439710
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
2-methylpentane-2,4-diol;2-methyl-2-propylpropane-1,3-diol
CID 88709547
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-butoxybutane;2-methylpentane-2,4-diol
CID 19966802

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1-diamine;2-methylpentane-2,4-diol?
The IUPAC name of cyclohexane-1,1-diamine;2-methylpentane-2,4-diol (CID 174848693) is cyclohexane-1,1-diamine;2-methylpentane-2,4-diol.
What is the SMILES notation for cyclohexane-1,1-diamine;2-methylpentane-2,4-diol?
The canonical SMILES for cyclohexane-1,1-diamine;2-methylpentane-2,4-diol is CC(O)CC(C)(C)O.NC1(N)CCCCC1.
What is the InChIKey of cyclohexane-1,1-diamine;2-methylpentane-2,4-diol?
The InChIKey is OCQLIWKRJNAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H14O2/c7-6(8)4-2-1-3-5-6;1-5(7)4-6(2,3)8/h1-5,7-8H2;5,7-8H,4H2,1-3H3.
What are the key properties of cyclohexane-1,1-diamine;2-methylpentane-2,4-diol?
cyclohexane-1,1-diamine;2-methylpentane-2,4-diol has a molecular weight of 232.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1-diamine;2-methylpentane-2,4-diol is sourced from PubChem (CID 174848693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).