2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine

C10H18BrNO — CID 102633222

IUPAC2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine
SMILESC=C(Br)COC1CCCCC1NC
InChIInChI=1S/C10H18BrNO/c1-8(11)7-13-10-6-4-3-5-9(10)12-2/h9-10,12H,1,3-7H2,2H3
InChIKeyRTRBUQOJXIYAKM-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine

2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine (PubChem CID 102633222) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine
PubChem CID102633222
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine
SMILESC=C(Br)COC1CCCCC1NC
InChIInChI=1S/C10H18BrNO/c1-8(11)7-13-10-6-4-3-5-9(10)12-2/h9-10,12H,1,3-7H2,2H3
InChIKeyRTRBUQOJXIYAKM-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromoprop-2-enoxymethyl)piperidine
CID 62335467
N-methyl-2-(3-methylbut-2-enoxy)cyclohexan-1-amine
CID 102633068
N-methyl-2-prop-2-enoxycyclohexan-1-amine
CID 102633115
2-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633133
N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine
CID 102633395
N-methyl-2-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 102633436
2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
CID 102633452
2-[(E)-but-2-enoxy]-N-methylcyclohexan-1-amine
CID 102633519
2-(2-Bromoprop-2-enoxy)cyclohexan-1-amine
CID 104285360
4-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454274
4-(2-bromoprop-2-enoxy)-N-ethylcyclohexan-1-amine
CID 104454689
4-(2-bromoprop-2-enoxy)-N-propylcyclohexan-1-amine
CID 104455079

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine (CID 102633222) is 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine is C=C(Br)COC1CCCCC1NC.
What is the InChIKey of 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine?
The InChIKey is RTRBUQOJXIYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(11)7-13-10-6-4-3-5-9(10)12-2/h9-10,12H,1,3-7H2,2H3.
What are the key properties of 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine?
2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine has a molecular weight of 248.16 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).