2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine

C11H20ClNO — CID 103067712

IUPAC2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(CC)CC1CCCO1
InChIInChI=1S/C11H20ClNO/c1-3-13(8-10(2)7-12)9-11-5-4-6-14-11/h11H,2-9H2,1H3
InChIKeyKEAYAROBYLUQDY-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.28
Rot. Bonds6

About 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine

2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 103067712) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID103067712
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(CC)CC1CCCO1
InChIInChI=1S/C11H20ClNO/c1-3-13(8-10(2)7-12)9-11-5-4-6-14-11/h11H,2-9H2,1H3
InChIKeyKEAYAROBYLUQDY-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine (CID 103067712) is 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine is C=C(CCl)CN(CC)CC1CCCO1.
What is the InChIKey of 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is KEAYAROBYLUQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-13(8-10(2)7-12)9-11-5-4-6-14-11/h11H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103067712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).