2-(2-methylpropylamino)oxypentanal

C9H19NO2 — CID 23150391

IUPAC2-(2-methylpropylamino)oxypentanal
SMILESCCCC(C=O)ONCC(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-9(7-11)12-10-6-8(2)3/h7-10H,4-6H2,1-3H3
InChIKeyDVZRZEHACSCOJT-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.53
Rot. Bonds7

About 2-(2-methylpropylamino)oxypentanal

2-(2-methylpropylamino)oxypentanal (PubChem CID 23150391) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(2-methylpropylamino)oxypentanal.

Molecular Properties

Compound Name2-(2-methylpropylamino)oxypentanal
PubChem CID23150391
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(2-methylpropylamino)oxypentanal
SMILESCCCC(C=O)ONCC(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-9(7-11)12-10-6-8(2)3/h7-10H,4-6H2,1-3H3
InChIKeyDVZRZEHACSCOJT-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropylamino)oxydecanal
CID 23150466
2-methyl-N-propan-2-yloxypropan-1-amine
CID 123783708
(pentan-2-ylamino) formate
CID 18006117
2-(ethoxymethyl)-N-(2-methylpropyl)pentan-1-amine
CID 103984246
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
potassium;hydride;2-methylpentanal
CID 173401246
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
(5R)-6-methyl-2,5-dipropyloctanal
CID 143527461
2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 107889329
2-methylpentanal;propanal
CID 23460116
2-methyl-N-propylpropan-1-amine
CID 520943

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)oxypentanal?
The IUPAC name of 2-(2-methylpropylamino)oxypentanal (CID 23150391) is 2-(2-methylpropylamino)oxypentanal.
What is the SMILES notation for 2-(2-methylpropylamino)oxypentanal?
The canonical SMILES for 2-(2-methylpropylamino)oxypentanal is CCCC(C=O)ONCC(C)C.
What is the InChIKey of 2-(2-methylpropylamino)oxypentanal?
The InChIKey is DVZRZEHACSCOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-9(7-11)12-10-6-8(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(2-methylpropylamino)oxypentanal?
2-(2-methylpropylamino)oxypentanal has a molecular weight of 173.26 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)oxypentanal is sourced from PubChem (CID 23150391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).