2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal

C13H25NO — CID 62275844

IUPAC2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
SMILESCCCCN(CC(C)(C=O)CC)C1CC1
InChIInChI=1S/C13H25NO/c1-4-6-9-14(12-7-8-12)10-13(3,5-2)11-15/h11-12H,4-10H2,1-3H3
InChIKeySGGQTAPMFRODDB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds8

About 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal

2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal (PubChem CID 62275844) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
PubChem CID62275844
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
SMILESCCCCN(CC(C)(C=O)CC)C1CC1
InChIInChI=1S/C13H25NO/c1-4-6-9-14(12-7-8-12)10-13(3,5-2)11-15/h11-12H,4-10H2,1-3H3
InChIKeySGGQTAPMFRODDB-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
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-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal?
The IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal (CID 62275844) is 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal is CCCCN(CC(C)(C=O)CC)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal?
The InChIKey is SGGQTAPMFRODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-9-14(12-7-8-12)10-13(3,5-2)11-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal?
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal has a molecular weight of 211.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal is sourced from PubChem (CID 62275844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).