2-(aminomethylidene)heptanal

C8H15NO — CID 71447240

IUPAC2-(aminomethylidene)heptanal
SMILESCCCCCC(C=O)=CN
InChIInChI=1S/C8H15NO/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5,9H2,1H3
InChIKeyPVHDIHMVDVBZQL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.61
Rot. Bonds5

About 2-(aminomethylidene)heptanal

2-(aminomethylidene)heptanal (PubChem CID 71447240) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(aminomethylidene)heptanal.

Molecular Properties

Compound Name2-(aminomethylidene)heptanal
PubChem CID71447240
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(aminomethylidene)heptanal
SMILESCCCCCC(C=O)=CN
InChIInChI=1S/C8H15NO/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5,9H2,1H3
InChIKeyPVHDIHMVDVBZQL-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 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 ≤ 51.61
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylidene)heptanal?
The IUPAC name of 2-(aminomethylidene)heptanal (CID 71447240) is 2-(aminomethylidene)heptanal.
What is the SMILES notation for 2-(aminomethylidene)heptanal?
The canonical SMILES for 2-(aminomethylidene)heptanal is CCCCCC(C=O)=CN.
What is the InChIKey of 2-(aminomethylidene)heptanal?
The InChIKey is PVHDIHMVDVBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-(aminomethylidene)heptanal?
2-(aminomethylidene)heptanal has a molecular weight of 141.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylidene)heptanal is sourced from PubChem (CID 71447240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).