2-methyl-2-(pyrrolidin-1-ylmethyl)butanal

C10H19NO — CID 62276549

IUPAC2-methyl-2-(pyrrolidin-1-ylmethyl)butanal
SMILESCCC(C)(C=O)CN1CCCC1
InChIInChI=1S/C10H19NO/c1-3-10(2,9-12)8-11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyKEEAODMHURBXIA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds4

About 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal

2-methyl-2-(pyrrolidin-1-ylmethyl)butanal (PubChem CID 62276549) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal.

Molecular Properties

Compound Name2-methyl-2-(pyrrolidin-1-ylmethyl)butanal
PubChem CID62276549
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-2-(pyrrolidin-1-ylmethyl)butanal
SMILESCCC(C)(C=O)CN1CCCC1
InChIInChI=1S/C10H19NO/c1-3-10(2,9-12)8-11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyKEEAODMHURBXIA-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal?
The IUPAC name of 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal (CID 62276549) is 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal.
What is the SMILES notation for 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal?
The canonical SMILES for 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal is CCC(C)(C=O)CN1CCCC1.
What is the InChIKey of 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal?
The InChIKey is KEEAODMHURBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(2,9-12)8-11-6-4-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal?
2-methyl-2-(pyrrolidin-1-ylmethyl)butanal has a molecular weight of 169.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyrrolidin-1-ylmethyl)butanal is sourced from PubChem (CID 62276549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).