2-(aminomethyl)-4-methoxypentanal

C7H15NO2 — CID 142040196

IUPAC2-(aminomethyl)-4-methoxypentanal
SMILESCOC(C)CC(C=O)CN
InChIInChI=1S/C7H15NO2/c1-6(10-2)3-7(4-8)5-9/h5-7H,3-4,8H2,1-2H3
InChIKeyHLWZDEPBNGYQFL-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.19
Rot. Bonds5

About 2-(aminomethyl)-4-methoxypentanal

2-(aminomethyl)-4-methoxypentanal (PubChem CID 142040196) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxypentanal.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxypentanal
PubChem CID142040196
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(aminomethyl)-4-methoxypentanal
SMILESCOC(C)CC(C=O)CN
InChIInChI=1S/C7H15NO2/c1-6(10-2)3-7(4-8)5-9/h5-7H,3-4,8H2,1-2H3
InChIKeyHLWZDEPBNGYQFL-UHFFFAOYSA-N
XLogP0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxypentanoic acid
CID 21255646
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
5-methoxyhex-1-en-3-ylhydrazine
CID 105266950
S-(2-methoxypropyl) methanethioate
CID 88911488
7-methoxy-3-methyloctanal
CID 71429921
2-(aminomethyl)-3-oxopropane-1-sulfinic acid
CID 167088189
(4S)-2-ethoxy-4-methoxypentane
CID 88970287
1,4-dimethoxy-2-methylpentane
CID 58003999
5-methoxy-3-methylhexanoic acid
CID 150312715
2-(aminomethyl)-3-(4-methylphenyl)propanal
CID 135220119
(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal
CID 5494407

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxypentanal?
The IUPAC name of 2-(aminomethyl)-4-methoxypentanal (CID 142040196) is 2-(aminomethyl)-4-methoxypentanal.
What is the SMILES notation for 2-(aminomethyl)-4-methoxypentanal?
The canonical SMILES for 2-(aminomethyl)-4-methoxypentanal is COC(C)CC(C=O)CN.
What is the InChIKey of 2-(aminomethyl)-4-methoxypentanal?
The InChIKey is HLWZDEPBNGYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(10-2)3-7(4-8)5-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methoxypentanal?
2-(aminomethyl)-4-methoxypentanal has a molecular weight of 145.20 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxypentanal is sourced from PubChem (CID 142040196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).