4-(2-bromoprop-2-enylamino)cyclohexan-1-ol

C9H16BrNO — CID 106595116

IUPAC4-(2-bromoprop-2-enylamino)cyclohexan-1-ol
SMILESC=C(Br)CNC1CCC(O)CC1
InChIInChI=1S/C9H16BrNO/c1-7(10)6-11-8-2-4-9(12)5-3-8/h8-9,11-12H,1-6H2
InChIKeyMGPIOMHCJVJCES-UHFFFAOYSA-N
MW234.14 g/mol
LogP1.79
Rot. Bonds3

About 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol

4-(2-bromoprop-2-enylamino)cyclohexan-1-ol (PubChem CID 106595116) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-bromoprop-2-enylamino)cyclohexan-1-ol
PubChem CID106595116
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name4-(2-bromoprop-2-enylamino)cyclohexan-1-ol
SMILESC=C(Br)CNC1CCC(O)CC1
InChIInChI=1S/C9H16BrNO/c1-7(10)6-11-8-2-4-9(12)5-3-8/h8-9,11-12H,1-6H2
InChIKeyMGPIOMHCJVJCES-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol (CID 106595116) is 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol is C=C(Br)CNC1CCC(O)CC1.
What is the InChIKey of 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol?
The InChIKey is MGPIOMHCJVJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7(10)6-11-8-2-4-9(12)5-3-8/h8-9,11-12H,1-6H2.
What are the key properties of 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol?
4-(2-bromoprop-2-enylamino)cyclohexan-1-ol has a molecular weight of 234.14 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 106595116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).