N-(2-bromoprop-2-enyl)cyclohexanamine

C9H16BrN — CID 5194199

IUPACN-(2-bromoprop-2-enyl)cyclohexanamine
SMILESC=C(Br)CNC1CCCCC1
InChIInChI=1S/C9H16BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h9,11H,1-7H2
InChIKeyYFNVYDSHFJBZMS-UHFFFAOYSA-N
MW218.14 g/mol
LogP2.82
Rot. Bonds3

About N-(2-bromoprop-2-enyl)cyclohexanamine

N-(2-bromoprop-2-enyl)cyclohexanamine (PubChem CID 5194199) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)cyclohexanamine
PubChem CID5194199
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC NameN-(2-bromoprop-2-enyl)cyclohexanamine
SMILESC=C(Br)CNC1CCCCC1
InChIInChI=1S/C9H16BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h9,11H,1-7H2
InChIKeyYFNVYDSHFJBZMS-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)cyclohexanamine?
The IUPAC name of N-(2-bromoprop-2-enyl)cyclohexanamine (CID 5194199) is N-(2-bromoprop-2-enyl)cyclohexanamine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)cyclohexanamine?
The canonical SMILES for N-(2-bromoprop-2-enyl)cyclohexanamine is C=C(Br)CNC1CCCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)cyclohexanamine?
The InChIKey is YFNVYDSHFJBZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h9,11H,1-7H2.
What are the key properties of N-(2-bromoprop-2-enyl)cyclohexanamine?
N-(2-bromoprop-2-enyl)cyclohexanamine has a molecular weight of 218.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)cyclohexanamine is sourced from PubChem (CID 5194199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).