amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol

C13H21NO — CID 71133574

IUPACamino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol
SMILESNC(O)C1C=CC(C2C=CCCC2)CC1
InChIInChI=1S/C13H21NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6,8,10-13,15H,1,3,5,7,9,14H2
InChIKeyWIHFTDZYSHVIRZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.20
Rot. Bonds2

About amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol

amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol (PubChem CID 71133574) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Nameamino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol
PubChem CID71133574
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameamino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol
SMILESNC(O)C1C=CC(C2C=CCCC2)CC1
InChIInChI=1S/C13H21NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6,8,10-13,15H,1,3,5,7,9,14H2
InChIKeyWIHFTDZYSHVIRZ-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol?
The IUPAC name of amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol (CID 71133574) is amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol is NC(O)C1C=CC(C2C=CCCC2)CC1.
What is the InChIKey of amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol?
The InChIKey is WIHFTDZYSHVIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h2,4,6,8,10-13,15H,1,3,5,7,9,14H2.
What are the key properties of amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol?
amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol has a molecular weight of 207.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 71133574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).