2-[methyl(oxolan-3-yl)amino]acetaldehyde

C7H13NO2 — CID 82742163

IUPAC2-[methyl(oxolan-3-yl)amino]acetaldehyde
SMILESCN(CC=O)C1CCOC1
InChIInChI=1S/C7H13NO2/c1-8(3-4-9)7-2-5-10-6-7/h4,7H,2-3,5-6H2,1H3
InChIKeyLWMONIRDVKHIKM-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.09
Rot. Bonds3

About 2-[methyl(oxolan-3-yl)amino]acetaldehyde

2-[methyl(oxolan-3-yl)amino]acetaldehyde (PubChem CID 82742163) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)amino]acetaldehyde
PubChem CID82742163
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[methyl(oxolan-3-yl)amino]acetaldehyde
SMILESCN(CC=O)C1CCOC1
InChIInChI=1S/C7H13NO2/c1-8(3-4-9)7-2-5-10-6-7/h4,7H,2-3,5-6H2,1H3
InChIKeyLWMONIRDVKHIKM-UHFFFAOYSA-N
XLogP-0.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.09
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

N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
(E)-5-[methyl-[(3S)-oxolan-3-yl]amino]pent-3-en-2-one
CID 126728860
(Z)-2-methyl-4-[methyl(oxolan-3-yl)amino]but-2-enoic acid
CID 82741966
1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
CID 82743523
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N-butyl-N-methyloxolan-3-amine
CID 154189060
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)amino]acetaldehyde?
The IUPAC name of 2-[methyl(oxolan-3-yl)amino]acetaldehyde (CID 82742163) is 2-[methyl(oxolan-3-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)amino]acetaldehyde?
The canonical SMILES for 2-[methyl(oxolan-3-yl)amino]acetaldehyde is CN(CC=O)C1CCOC1.
What is the InChIKey of 2-[methyl(oxolan-3-yl)amino]acetaldehyde?
The InChIKey is LWMONIRDVKHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8(3-4-9)7-2-5-10-6-7/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-[methyl(oxolan-3-yl)amino]acetaldehyde?
2-[methyl(oxolan-3-yl)amino]acetaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)amino]acetaldehyde is sourced from PubChem (CID 82742163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).