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

C10H18ClNO — CID 106439135

IUPAC3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESCC(=CCl)COC1CCCC(N)C1
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-4-2-3-9(12)5-10/h6,9-10H,2-5,7,12H2,1H3
InChIKeyFUNQTORXVNBIKQ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.42
Rot. Bonds3

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

3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine (PubChem CID 106439135) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
PubChem CID106439135
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
SMILESCC(=CCl)COC1CCCC(N)C1
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-4-2-3-9(12)5-10/h6,9-10H,2-5,7,12H2,1H3
InChIKeyFUNQTORXVNBIKQ-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

Analyze 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Methylprop-2-enoxy)cyclohexan-1-amine
CID 79464856
4-Chloro-3-(3-methylbut-2-enoxy)cyclohexan-1-amine
CID 140471668
3-(3-Methylbut-2-enoxy)cyclohexan-1-amine
CID 79464558
3-(2,3-Dichloroprop-2-enoxy)cyclohexan-1-amine
CID 79464769
3-(2-Methylidenebutoxy)cyclohexan-1-amine
CID 79465178
3-(3-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 79465396
3-(2-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 79465801
4-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106437132
2-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106439145
4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine
CID 131359008
3-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 133614108
2-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine
CID 133665533

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine (CID 106439135) is 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine is CC(=CCl)COC1CCCC(N)C1.
What is the InChIKey of 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is FUNQTORXVNBIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-4-2-3-9(12)5-10/h6,9-10H,2-5,7,12H2,1H3.
What are the key properties of 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine?
3-(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 3-(3-chloro-2-methylprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 106439135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).