1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine

C7H14ClNO — CID 130640166

IUPAC1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CCl)CCOC1
InChIInChI=1S/C7H14ClNO/c1-9-5-7(4-8)2-3-10-6-7/h9H,2-6H2,1H3
InChIKeyORJTUDDQIHQPMI-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.85
Rot. Bonds3

About 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine

1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 130640166) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
PubChem CID130640166
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CCl)CCOC1
InChIInChI=1S/C7H14ClNO/c1-9-5-7(4-8)2-3-10-6-7/h9H,2-6H2,1H3
InChIKeyORJTUDDQIHQPMI-UHFFFAOYSA-N
XLogP0.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
CID 165446161
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
1-[3-(cyclopropylmethoxymethyl)oxolan-3-yl]-N-methylmethanamine
CID 106930797
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211209
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine (CID 130640166) is 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine is CNCC1(CCl)CCOC1.
What is the InChIKey of 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is ORJTUDDQIHQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-9-5-7(4-8)2-3-10-6-7/h9H,2-6H2,1H3.
What are the key properties of 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine?
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 163.65 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 130640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).