3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol

C12H21NO — CID 106651372

IUPAC3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2=CCCCC2)C1
InChIInChI=1S/C12H21NO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h5,11,14H,1-4,6-9,13H2
InChIKeyDLQXMVBGGSCRKC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.12
Rot. Bonds1

About 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol

3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol (PubChem CID 106651372) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
PubChem CID106651372
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2=CCCCC2)C1
InChIInChI=1S/C12H21NO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h5,11,14H,1-4,6-9,13H2
InChIKeyDLQXMVBGGSCRKC-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol (CID 106651372) is 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol is NC1CCCC(O)(C2=CCCCC2)C1.
What is the InChIKey of 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol?
The InChIKey is DLQXMVBGGSCRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h5,11,14H,1-4,6-9,13H2.
What are the key properties of 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol?
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 106651372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).