1-[4-(butylamino)cycloheptyl]ethenol

C13H25NO — CID 156532077

IUPAC1-[4-(butylamino)cycloheptyl]ethenol
SMILESC=C(O)C1CCCC(NCCCC)CC1
InChIInChI=1S/C13H25NO/c1-3-4-10-14-13-7-5-6-12(8-9-13)11(2)15/h12-15H,2-10H2,1H3
InChIKeyRIFRGRMDOIIEAQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-(butylamino)cycloheptyl]ethenol

1-[4-(butylamino)cycloheptyl]ethenol (PubChem CID 156532077) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[4-(butylamino)cycloheptyl]ethenol.

Molecular Properties

Compound Name1-[4-(butylamino)cycloheptyl]ethenol
PubChem CID156532077
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[4-(butylamino)cycloheptyl]ethenol
SMILESC=C(O)C1CCCC(NCCCC)CC1
InChIInChI=1S/C13H25NO/c1-3-4-10-14-13-7-5-6-12(8-9-13)11(2)15/h12-15H,2-10H2,1H3
InChIKeyRIFRGRMDOIIEAQ-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(butylamino)cycloheptyl]ethenol?
The IUPAC name of 1-[4-(butylamino)cycloheptyl]ethenol (CID 156532077) is 1-[4-(butylamino)cycloheptyl]ethenol.
What is the SMILES notation for 1-[4-(butylamino)cycloheptyl]ethenol?
The canonical SMILES for 1-[4-(butylamino)cycloheptyl]ethenol is C=C(O)C1CCCC(NCCCC)CC1.
What is the InChIKey of 1-[4-(butylamino)cycloheptyl]ethenol?
The InChIKey is RIFRGRMDOIIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-10-14-13-7-5-6-12(8-9-13)11(2)15/h12-15H,2-10H2,1H3.
What are the key properties of 1-[4-(butylamino)cycloheptyl]ethenol?
1-[4-(butylamino)cycloheptyl]ethenol has a molecular weight of 211.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butylamino)cycloheptyl]ethenol is sourced from PubChem (CID 156532077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).