2-(2-methylpropyl)morpholine-4-carbaldehyde

C9H17NO2 — CID 174559381

IUPAC2-(2-methylpropyl)morpholine-4-carbaldehyde
SMILESCC(C)CC1CN(C=O)CCO1
InChIInChI=1S/C9H17NO2/c1-8(2)5-9-6-10(7-11)3-4-12-9/h7-9H,3-6H2,1-2H3
InChIKeyJUPJZMMJGVHEJW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-methylpropyl)morpholine-4-carbaldehyde

2-(2-methylpropyl)morpholine-4-carbaldehyde (PubChem CID 174559381) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-methylpropyl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylpropyl)morpholine-4-carbaldehyde
PubChem CID174559381
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2-methylpropyl)morpholine-4-carbaldehyde
SMILESCC(C)CC1CN(C=O)CCO1
InChIInChI=1S/C9H17NO2/c1-8(2)5-9-6-10(7-11)3-4-12-9/h7-9H,3-6H2,1-2H3
InChIKeyJUPJZMMJGVHEJW-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropyl)morpholine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde
CID 162424221
(2R)-2-cyclopropylmorpholine-4-carbaldehyde
CID 167506006
2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
CID 168940416
4-chloro-2-(2-methylpropyl)oxane
CID 13087279
(2R)-2-(2-methylpropyl)oxane
CID 58653197
(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone
CID 90103196
CID 140774786
CID 140774786
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
N,N-dimethyl-6-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-amine
CID 50962473
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 90104342
2-(2-methylpropyl)-1,4-oxathiane
CID 172588636

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)morpholine-4-carbaldehyde?
The IUPAC name of 2-(2-methylpropyl)morpholine-4-carbaldehyde (CID 174559381) is 2-(2-methylpropyl)morpholine-4-carbaldehyde.
What is the SMILES notation for 2-(2-methylpropyl)morpholine-4-carbaldehyde?
The canonical SMILES for 2-(2-methylpropyl)morpholine-4-carbaldehyde is CC(C)CC1CN(C=O)CCO1.
What is the InChIKey of 2-(2-methylpropyl)morpholine-4-carbaldehyde?
The InChIKey is JUPJZMMJGVHEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-9-6-10(7-11)3-4-12-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)morpholine-4-carbaldehyde?
2-(2-methylpropyl)morpholine-4-carbaldehyde has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)morpholine-4-carbaldehyde is sourced from PubChem (CID 174559381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).