2,2-dimethylpropanal;N-methylpyrrolidin-3-amine

C10H22N2O — CID 171505499

IUPAC2,2-dimethylpropanal;N-methylpyrrolidin-3-amine
SMILESCC(C)(C)C=O.CNC1CCNC1
InChIInChI=1S/C5H12N2.C5H10O/c1-6-5-2-3-7-4-5;1-5(2,3)4-6/h5-7H,2-4H2,1H3;4H,1-3H3
InChIKeyFJUNDQUCELRLLY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.80
Rot. Bonds1

About 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine

2,2-dimethylpropanal;N-methylpyrrolidin-3-amine (PubChem CID 171505499) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2,2-dimethylpropanal;N-methylpyrrolidin-3-amine
PubChem CID171505499
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2,2-dimethylpropanal;N-methylpyrrolidin-3-amine
SMILESCC(C)(C)C=O.CNC1CCNC1
InChIInChI=1S/C5H12N2.C5H10O/c1-6-5-2-3-7-4-5;1-5(2,3)4-6/h5-7H,2-4H2,1H3;4H,1-3H3
InChIKeyFJUNDQUCELRLLY-UHFFFAOYSA-N
XLogP0.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpropanal;N-methylpyrrolidin-3-amine
CID 171505368
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
N-tert-butylpiperidin-4-amine;formic acid
CID 175154114
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
acetylene;(E)-4-(dimethylamino)but-2-enamide;(3S)-N-methylpyrrolidin-3-amine
CID 142279034
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
ethane;N-piperidin-4-ylformamide
CID 142035291
2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
CID 142337471

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine?
The IUPAC name of 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine (CID 171505499) is 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine.
What is the SMILES notation for 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine?
The canonical SMILES for 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine is CC(C)(C)C=O.CNC1CCNC1.
What is the InChIKey of 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine?
The InChIKey is FJUNDQUCELRLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H10O/c1-6-5-2-3-7-4-5;1-5(2,3)4-6/h5-7H,2-4H2,1H3;4H,1-3H3.
What are the key properties of 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine?
2,2-dimethylpropanal;N-methylpyrrolidin-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanal;N-methylpyrrolidin-3-amine is sourced from PubChem (CID 171505499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).