4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine

C11H20ClNO — CID 106437133

IUPAC4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCC(C)=CCl)CC1
InChIInChI=1S/C11H20ClNO/c1-9(7-12)8-14-11-5-3-10(13-2)4-6-11/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyYMFCPKLBNWIGLC-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.68
Rot. Bonds4

About 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine

4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine (PubChem CID 106437133) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine
PubChem CID106437133
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCC(C)=CCl)CC1
InChIInChI=1S/C11H20ClNO/c1-9(7-12)8-14-11-5-3-10(13-2)4-6-11/h7,10-11,13H,3-6,8H2,1-2H3
InChIKeyYMFCPKLBNWIGLC-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-4-[(2-methylprop-2-en-1-yl)oxy]cyclohexan-1-amine
CID 67483354
N-hexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 67485005
N-methyl-4-prop-2-enoxycyclohexan-1-amine
CID 89595072
4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 62807756
4-(2-Methylprop-2-enoxy)cyclohexan-1-amine
CID 62807758
4-(3-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 76949652
N-methyl-4-(3-methylbut-2-enoxy)cyclohexan-1-amine
CID 104454287
4-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454357
N-methyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 104454396
4-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
CID 104454472
N-methyl-4-(2-methylidenebutoxy)cyclohexan-1-amine
CID 104454514
4-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454568

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine (CID 106437133) is 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine is CNC1CCC(OCC(C)=CCl)CC1.
What is the InChIKey of 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine?
The InChIKey is YMFCPKLBNWIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9(7-12)8-14-11-5-3-10(13-2)4-6-11/h7,10-11,13H,3-6,8H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine?
4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylprop-2-enoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106437133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).