2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal

C13H27NO2 — CID 62276222

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)C(C)COC
InChIInChI=1S/C13H27NO2/c1-6-8-13(4,11-15)10-14(7-2)12(3)9-16-5/h11-12H,6-10H2,1-5H3
InChIKeyHIHDLHAOQCLTAW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds9

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal (PubChem CID 62276222) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal
PubChem CID62276222
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)C(C)COC
InChIInChI=1S/C13H27NO2/c1-6-8-13(4,11-15)10-14(7-2)12(3)9-16-5/h11-12H,6-10H2,1-5H3
InChIKeyHIHDLHAOQCLTAW-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
CID 62278096
N-cyclopropyl-N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-2-propylpropane-1,3-diamine
CID 55056516
2-methyl-2-propylpentanal
CID 12587446
2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
CID 62277192
2-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-1-ol
CID 64828099
N,N',2,2-tetraethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62256919
2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
CID 102997025
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193751
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 62266357
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248683

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal (CID 62276222) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(CC)C(C)COC.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal?
The InChIKey is HIHDLHAOQCLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-8-13(4,11-15)10-14(7-2)12(3)9-16-5/h11-12H,6-10H2,1-5H3.
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal has a molecular weight of 229.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 62276222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).