2-(methoxymethyl)-N-propylprop-2-en-1-amine

C8H17NO — CID 103074360

IUPAC2-(methoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC
InChIInChI=1S/C8H17NO/c1-4-5-9-6-8(2)7-10-3/h9H,2,4-7H2,1,3H3
InChIKeyYQJCAWPLCFSTPG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About 2-(methoxymethyl)-N-propylprop-2-en-1-amine

2-(methoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074360) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074360
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(methoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC
InChIInChI=1S/C8H17NO/c1-4-5-9-6-8(2)7-10-3/h9H,2,4-7H2,1,3H3
InChIKeyYQJCAWPLCFSTPG-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074892
N-ethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074928
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
CID 103074933
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(methoxymethyl)-N-propylprop-2-en-1-amine (CID 103074360) is 2-(methoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(methoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COC.
What is the InChIKey of 2-(methoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is YQJCAWPLCFSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-9-6-8(2)7-10-3/h9H,2,4-7H2,1,3H3.
What are the key properties of 2-(methoxymethyl)-N-propylprop-2-en-1-amine?
2-(methoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).