2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine

C11H20ClNO — CID 103067709

IUPAC2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(C)CC1CCCCO1
InChIInChI=1S/C11H20ClNO/c1-10(7-12)8-13(2)9-11-5-3-4-6-14-11/h11H,1,3-9H2,2H3
InChIKeyDHDPRRXBTNXOLJ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.28
Rot. Bonds5

About 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine

2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 103067709) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
PubChem CID103067709
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(C)CC1CCCCO1
InChIInChI=1S/C11H20ClNO/c1-10(7-12)8-13(2)9-11-5-3-4-6-14-11/h11H,1,3-9H2,2H3
InChIKeyDHDPRRXBTNXOLJ-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.28
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

3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 61436090
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pentan-1-amine
CID 61436139
4-chloro-N-methyl-N-(oxan-2-ylmethyl)butan-1-amine
CID 61749242
6-chloro-N-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 62227447
3-chloro-N,2-dimethyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 64232980
4-chloro-N-methyl-N-(oxan-2-ylmethyl)but-2-en-1-amine
CID 77051798
4-[2-(Chloromethyl)prop-2-enyl]-2,6-dimethylmorpholine
CID 103067569
4-[2-(Chloromethyl)prop-2-enyl]-2-methylmorpholine
CID 103067572
4-[2-(Chloromethyl)prop-2-enyl]-2-ethylmorpholine
CID 103067650
2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
CID 103067708
2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
CID 103067712
1-[2-(Chloromethyl)prop-2-enyl]-3-propoxypiperidine
CID 103067740

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine (CID 103067709) is 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine is C=C(CCl)CN(C)CC1CCCCO1.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is DHDPRRXBTNXOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(7-12)8-13(2)9-11-5-3-4-6-14-11/h11H,1,3-9H2,2H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine?
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103067709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).