2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine

C8H17NO2 — CID 103074752

IUPAC2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)COC
InChIInChI=1S/C8H17NO2/c1-7(4-9)5-11-8(2)6-10-3/h8H,1,4-6,9H2,2-3H3
InChIKeyNNBPXMPVEGBUBT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.55
Rot. Bonds6

About 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine

2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074752) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074752
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)COC
InChIInChI=1S/C8H17NO2/c1-7(4-9)5-11-8(2)6-10-3/h8H,1,4-6,9H2,2-3H3
InChIKeyNNBPXMPVEGBUBT-UHFFFAOYSA-N
XLogP0.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074375
2-(2-ethoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074376
2-(2-Methoxyethoxymethyl)prop-2-en-1-amine
CID 103074420
2-(2-methoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074421
2-(2-Methylpropoxymethyl)prop-2-en-1-amine
CID 103074427
2-(Aminomethyl)-3-(propan-2-yloxy)prop-1-ene
CID 103074439
N-ethyl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074454
2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074458
2-(2-Propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074459
N-methyl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074460
2-(2-Butoxyethoxymethyl)prop-2-en-1-amine
CID 103074520
2-(2-butoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074521

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine (CID 103074752) is 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine is C=C(CN)COC(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is NNBPXMPVEGBUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(4-9)5-11-8(2)6-10-3/h8H,1,4-6,9H2,2-3H3.
What are the key properties of 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine?
2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).