4-aminobutanal;methanamine;propylbenzene

C14H26N2O — CID 143953551

IUPAC4-aminobutanal;methanamine;propylbenzene
SMILESCCCc1ccccc1.CN.NCCCC=O
InChIInChI=1S/C9H12.C4H9NO.CH5N/c1-2-6-9-7-4-3-5-8-9;5-3-1-2-4-6;1-2/h3-5,7-8H,2,6H2,1H3;4H,1-3,5H2;2H2,1H3
InChIKeyMQGQHPDYWRUQLH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds5

About 4-aminobutanal;methanamine;propylbenzene

4-aminobutanal;methanamine;propylbenzene (PubChem CID 143953551) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-aminobutanal;methanamine;propylbenzene.

Molecular Properties

Compound Name4-aminobutanal;methanamine;propylbenzene
PubChem CID143953551
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-aminobutanal;methanamine;propylbenzene
SMILESCCCc1ccccc1.CN.NCCCC=O
InChIInChI=1S/C9H12.C4H9NO.CH5N/c1-2-6-9-7-4-3-5-8-9;5-3-1-2-4-6;1-2/h3-5,7-8H,2,6H2,1H3;4H,1-3,5H2;2H2,1H3
InChIKeyMQGQHPDYWRUQLH-UHFFFAOYSA-N
XLogP2.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminobutanal;methanamine;propylbenzene?
The IUPAC name of 4-aminobutanal;methanamine;propylbenzene (CID 143953551) is 4-aminobutanal;methanamine;propylbenzene.
What is the SMILES notation for 4-aminobutanal;methanamine;propylbenzene?
The canonical SMILES for 4-aminobutanal;methanamine;propylbenzene is CCCc1ccccc1.CN.NCCCC=O.
What is the InChIKey of 4-aminobutanal;methanamine;propylbenzene?
The InChIKey is MQGQHPDYWRUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H9NO.CH5N/c1-2-6-9-7-4-3-5-8-9;5-3-1-2-4-6;1-2/h3-5,7-8H,2,6H2,1H3;4H,1-3,5H2;2H2,1H3.
What are the key properties of 4-aminobutanal;methanamine;propylbenzene?
4-aminobutanal;methanamine;propylbenzene has a molecular weight of 238.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanal;methanamine;propylbenzene is sourced from PubChem (CID 143953551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).