3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine

C9H20ClNO — CID 87079994

IUPAC3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine
SMILESC=C(C)COC(C)Cl.CN(C)C
InChIInChI=1S/C6H11ClO.C3H9N/c1-5(2)4-8-6(3)7;1-4(2)3/h6H,1,4H2,2-3H3;1-3H3
InChIKeyPRPGOFVCBFMGOR-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.34
Rot. Bonds3

About 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine

3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine (PubChem CID 87079994) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine.

Molecular Properties

Compound Name3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine
PubChem CID87079994
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine
SMILESC=C(C)COC(C)Cl.CN(C)C
InChIInChI=1S/C6H11ClO.C3H9N/c1-5(2)4-8-6(3)7;1-4(2)3/h6H,1,4H2,2-3H3;1-3H3
InChIKeyPRPGOFVCBFMGOR-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;3-(1-fluoroethoxy)-2-methylprop-1-ene
CID 87225169
N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene
CID 87225126
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
CID 71583350
1-(2-methylprop-2-enoxy)ethyl carbonochloridate
CID 88640384
tetrakis[1-(2-methylprop-2-enoxy)ethyl] silicate
CID 87063889
3-(2-methylprop-2-enoxy)pentane
CID 123638560
2-methyl-3-(1-propoxyethoxy)prop-1-ene
CID 173289997
2,2-bis(2-methylprop-2-enoxy)acetic acid
CID 139999943
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724
1-(2-methylprop-2-enoxy)ethyl dihydrogen phosphate
CID 87968410
chloro-dimethyl-[(1S)-1-(2-methylprop-2-enoxy)propyl]silane
CID 87393831
methoxy-[2-(2-methylprop-2-enoxy)propyl]silane
CID 173090276

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine?
The IUPAC name of 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine (CID 87079994) is 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine.
What is the SMILES notation for 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine?
The canonical SMILES for 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine is C=C(C)COC(C)Cl.CN(C)C.
What is the InChIKey of 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine?
The InChIKey is PRPGOFVCBFMGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO.C3H9N/c1-5(2)4-8-6(3)7;1-4(2)3/h6H,1,4H2,2-3H3;1-3H3.
What are the key properties of 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine?
3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine has a molecular weight of 193.72 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine is sourced from PubChem (CID 87079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).