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

C13H23NO — CID 106651373

IUPAC3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2=CCCCCC2)C1
InChIInChI=1S/C13H23NO/c14-12-8-5-9-13(15,10-12)11-6-3-1-2-4-7-11/h6,12,15H,1-5,7-10,14H2
InChIKeyNZVNBCRIXPZWBW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.51
Rot. Bonds1

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

3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol (PubChem CID 106651373) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol
PubChem CID106651373
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2=CCCCCC2)C1
InChIInChI=1S/C13H23NO/c14-12-8-5-9-13(15,10-12)11-6-3-1-2-4-7-11/h6,12,15H,1-5,7-10,14H2
InChIKeyNZVNBCRIXPZWBW-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.51
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-(cyclohepten-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol (CID 106651373) is 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol is NC1CCCC(O)(C2=CCCCCC2)C1.
What is the InChIKey of 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol?
The InChIKey is NZVNBCRIXPZWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12-8-5-9-13(15,10-12)11-6-3-1-2-4-7-11/h6,12,15H,1-5,7-10,14H2.
What are the key properties of 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol?
3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclohepten-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 106651373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).