1-[4-(propan-2-ylamino)cyclohexyl]ethenol

C11H21NO — CID 58404417

IUPAC1-[4-(propan-2-ylamino)cyclohexyl]ethenol
SMILESC=C(O)C1CCC(NC(C)C)CC1
InChIInChI=1S/C11H21NO/c1-8(2)12-11-6-4-10(5-7-11)9(3)13/h8,10-13H,3-7H2,1-2H3
InChIKeyUGOYHSWTNFDJOP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.61
Rot. Bonds3

About 1-[4-(propan-2-ylamino)cyclohexyl]ethenol

1-[4-(propan-2-ylamino)cyclohexyl]ethenol (PubChem CID 58404417) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[4-(propan-2-ylamino)cyclohexyl]ethenol.

Molecular Properties

Compound Name1-[4-(propan-2-ylamino)cyclohexyl]ethenol
PubChem CID58404417
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[4-(propan-2-ylamino)cyclohexyl]ethenol
SMILESC=C(O)C1CCC(NC(C)C)CC1
InChIInChI=1S/C11H21NO/c1-8(2)12-11-6-4-10(5-7-11)9(3)13/h8,10-13H,3-7H2,1-2H3
InChIKeyUGOYHSWTNFDJOP-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-ylamino)cyclohexyl]ethenol?
The IUPAC name of 1-[4-(propan-2-ylamino)cyclohexyl]ethenol (CID 58404417) is 1-[4-(propan-2-ylamino)cyclohexyl]ethenol.
What is the SMILES notation for 1-[4-(propan-2-ylamino)cyclohexyl]ethenol?
The canonical SMILES for 1-[4-(propan-2-ylamino)cyclohexyl]ethenol is C=C(O)C1CCC(NC(C)C)CC1.
What is the InChIKey of 1-[4-(propan-2-ylamino)cyclohexyl]ethenol?
The InChIKey is UGOYHSWTNFDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)12-11-6-4-10(5-7-11)9(3)13/h8,10-13H,3-7H2,1-2H3.
What are the key properties of 1-[4-(propan-2-ylamino)cyclohexyl]ethenol?
1-[4-(propan-2-ylamino)cyclohexyl]ethenol has a molecular weight of 183.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylamino)cyclohexyl]ethenol is sourced from PubChem (CID 58404417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).