N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine

C12H22BrN — CID 81345401

IUPACN-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine
SMILESC=C(Br)CNC1CCCCC1C(C)C
InChIInChI=1S/C12H22BrN/c1-9(2)11-6-4-5-7-12(11)14-8-10(3)13/h9,11-12,14H,3-8H2,1-2H3
InChIKeyULEKTDJSFPZLGY-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.70
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine

N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 81345401) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID81345401
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC NameN-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine
SMILESC=C(Br)CNC1CCCCC1C(C)C
InChIInChI=1S/C12H22BrN/c1-9(2)11-6-4-5-7-12(11)14-8-10(3)13/h9,11-12,14H,3-8H2,1-2H3
InChIKeyULEKTDJSFPZLGY-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.70
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)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine (CID 81345401) is N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine is C=C(Br)CNC1CCCCC1C(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is ULEKTDJSFPZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN/c1-9(2)11-6-4-5-7-12(11)14-8-10(3)13/h9,11-12,14H,3-8H2,1-2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
N-(2-bromoprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 260.22 g/mol, XLogP of 3.70, 4 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)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81345401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).