2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine

C10H18ClNO — CID 106439145

IUPAC2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESCC(=CCl)COC1CCCCC1N
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h6,9-10H,2-5,7,12H2,1H3
InChIKeyJRGCORMXLMCJNY-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.42
Rot. Bonds3

About 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine

2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine (PubChem CID 106439145) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
PubChem CID106439145
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESCC(=CCl)COC1CCCCC1N
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h6,9-10H,2-5,7,12H2,1H3
InChIKeyJRGCORMXLMCJNY-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633097
2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
CID 102633139
2-(2,3-Dichloroprop-2-enoxy)cyclohexan-1-amine
CID 104285199
2-(3-Methylbut-2-enoxy)cyclohexan-1-amine
CID 104285250
2-(2-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 104285293
2-(2-Methylprop-2-enoxy)cyclohexan-1-amine
CID 104285345
2-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 104285378
2-(2-Methylidenebutoxy)cyclohexan-1-amine
CID 104285407
4-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106437132
4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 106437133
3-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106439135
2-(3-Chloro-2-methylprop-2-enoxy)cycloheptan-1-amine
CID 106439143

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine (CID 106439145) is 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine is CC(=CCl)COC1CCCCC1N.
What is the InChIKey of 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is JRGCORMXLMCJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h6,9-10H,2-5,7,12H2,1H3.
What are the key properties of 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 106439145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).