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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Related Compounds

1-Amino-2-methyl-7-propan-2-ylnon-8-en-1-ol
CID 19790828
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CID 67554809
(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
CID 67554986
1-Amino-4-(3-ethenylcyclohexyl)pentan-1-ol
CID 68240915
(4S)-1-amino-4-(3-ethenylcyclohexyl)pentan-1-ol
CID 68241220
3-Amino-3-cyclohex-2-en-1-ylpropan-1-ol
CID 68852884
(Z)-1-amino-2-[(Z)-octadec-9-enyl]icos-11-en-1-ol
CID 88006924
3-(aminomethyl)-5-[(Z)-tetradec-5-enyl]heptane-1,7-diol
CID 88816116
3-(4-Aminocyclohex-2-en-1-yl)propan-1-ol
CID 89195778
1-Amino-4-cyclohexa-2,4-dien-1-ylbutan-1-ol
CID 89225899
amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol
CID 121286678
1-Amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol
CID 122500311

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).