cyclohexen-1-amine;2,3-dimethylbutan-2-ol

C12H25NO — CID 169199701

IUPACcyclohexen-1-amine;2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(C)O.NC1=CCCCC1
InChIInChI=1S/C6H11N.C6H14O/c7-6-4-2-1-3-5-6;1-5(2)6(3,4)7/h4H,1-3,5,7H2;5,7H,1-4H3
InChIKeyJIMWZKLMILMVTA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.82
Rot. Bonds1

About cyclohexen-1-amine;2,3-dimethylbutan-2-ol

cyclohexen-1-amine;2,3-dimethylbutan-2-ol (PubChem CID 169199701) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is cyclohexen-1-amine;2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Namecyclohexen-1-amine;2,3-dimethylbutan-2-ol
PubChem CID169199701
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namecyclohexen-1-amine;2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(C)O.NC1=CCCCC1
InChIInChI=1S/C6H11N.C6H14O/c7-6-4-2-1-3-5-6;1-5(2)6(3,4)7/h4H,1-3,5,7H2;5,7H,1-4H3
InChIKeyJIMWZKLMILMVTA-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-amine;2,3-dimethylbutan-2-ol?
The IUPAC name of cyclohexen-1-amine;2,3-dimethylbutan-2-ol (CID 169199701) is cyclohexen-1-amine;2,3-dimethylbutan-2-ol.
What is the SMILES notation for cyclohexen-1-amine;2,3-dimethylbutan-2-ol?
The canonical SMILES for cyclohexen-1-amine;2,3-dimethylbutan-2-ol is CC(C)C(C)(C)O.NC1=CCCCC1.
What is the InChIKey of cyclohexen-1-amine;2,3-dimethylbutan-2-ol?
The InChIKey is JIMWZKLMILMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C6H14O/c7-6-4-2-1-3-5-6;1-5(2)6(3,4)7/h4H,1-3,5,7H2;5,7H,1-4H3.
What are the key properties of cyclohexen-1-amine;2,3-dimethylbutan-2-ol?
cyclohexen-1-amine;2,3-dimethylbutan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-amine;2,3-dimethylbutan-2-ol is sourced from PubChem (CID 169199701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).