4-[1-(methylamino)cyclopropyl]butanal

C8H15NO — CID 144733002

IUPAC4-[1-(methylamino)cyclopropyl]butanal
SMILESCNC1(CCCC=O)CC1
InChIInChI=1S/C8H15NO/c1-9-8(5-6-8)4-2-3-7-10/h7,9H,2-6H2,1H3
InChIKeyGKXHQFPCEWQMFK-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds5

About 4-[1-(methylamino)cyclopropyl]butanal

4-[1-(methylamino)cyclopropyl]butanal (PubChem CID 144733002) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-[1-(methylamino)cyclopropyl]butanal.

Molecular Properties

Compound Name4-[1-(methylamino)cyclopropyl]butanal
PubChem CID144733002
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-[1-(methylamino)cyclopropyl]butanal
SMILESCNC1(CCCC=O)CC1
InChIInChI=1S/C8H15NO/c1-9-8(5-6-8)4-2-3-7-10/h7,9H,2-6H2,1H3
InChIKeyGKXHQFPCEWQMFK-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)cyclopropyl]butanal?
The IUPAC name of 4-[1-(methylamino)cyclopropyl]butanal (CID 144733002) is 4-[1-(methylamino)cyclopropyl]butanal.
What is the SMILES notation for 4-[1-(methylamino)cyclopropyl]butanal?
The canonical SMILES for 4-[1-(methylamino)cyclopropyl]butanal is CNC1(CCCC=O)CC1.
What is the InChIKey of 4-[1-(methylamino)cyclopropyl]butanal?
The InChIKey is GKXHQFPCEWQMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-8(5-6-8)4-2-3-7-10/h7,9H,2-6H2,1H3.
What are the key properties of 4-[1-(methylamino)cyclopropyl]butanal?
4-[1-(methylamino)cyclopropyl]butanal has a molecular weight of 141.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)cyclopropyl]butanal is sourced from PubChem (CID 144733002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).