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

C10H18ClNO — CID 103067708

IUPAC2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(C)CC1CCCO1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h10H,1,3-8H2,2H3
InChIKeyDMYMUYVOVBOFQK-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds5

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

2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 103067708) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID103067708
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(C)CC1CCCO1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h10H,1,3-8H2,2H3
InChIKeyDMYMUYVOVBOFQK-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
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-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine (CID 103067708) is 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine is C=C(CCl)CN(C)CC1CCCO1.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is DMYMUYVOVBOFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h10H,1,3-8H2,2H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine?
2-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 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-(oxolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103067708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).