cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine

C11H28N4 — CID 70518609

IUPACcyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CN.NC1(N)CCCCC1
InChIInChI=1S/C6H14N2.C5H14N2/c7-6(8)4-2-1-3-5-6;1-5(2,3-6)4-7/h1-5,7-8H2;3-4,6-7H2,1-2H3
InChIKeyIBEVRMXZZMJEMV-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.49
Rot. Bonds2

About cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine

cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine (PubChem CID 70518609) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Namecyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
PubChem CID70518609
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Namecyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CN.NC1(N)CCCCC1
InChIInChI=1S/C6H14N2.C5H14N2/c7-6(8)4-2-1-3-5-6;1-5(2,3-6)4-7/h1-5,7-8H2;3-4,6-7H2,1-2H3
InChIKeyIBEVRMXZZMJEMV-UHFFFAOYSA-N
XLogP0.49
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.49
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

bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
2,2-dimethylpropane-1,3-diamine
CID 162099967
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
cyclohexane-1,1-diamine;2-methylpentane-2,4-diol
CID 174848693
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
cyclohexane-1,1-diamine;dichloroplatinum
CID 21280166
1-amino-2-(1-methylcyclohexyl)propan-2-ol
CID 139026363
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
1-(2-methylbutan-2-yl)cycloheptan-1-amine
CID 90700569
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
The IUPAC name of cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine (CID 70518609) is cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CN.NC1(N)CCCCC1.
What is the InChIKey of cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
The InChIKey is IBEVRMXZZMJEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C5H14N2/c7-6(8)4-2-1-3-5-6;1-5(2,3-6)4-7/h1-5,7-8H2;3-4,6-7H2,1-2H3.
What are the key properties of cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine?
cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 0.49, 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;2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 70518609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).