5-amino-2-propan-2-ylidenepentanal

C8H15NO — CID 173295367

IUPAC5-amino-2-propan-2-ylidenepentanal
SMILESCC(C)=C(C=O)CCCN
InChIInChI=1S/C8H15NO/c1-7(2)8(6-10)4-3-5-9/h6H,3-5,9H2,1-2H3
InChIKeyXHJACTVBGSHZOQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds4

About 5-amino-2-propan-2-ylidenepentanal

5-amino-2-propan-2-ylidenepentanal (PubChem CID 173295367) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-amino-2-propan-2-ylidenepentanal.

Molecular Properties

Compound Name5-amino-2-propan-2-ylidenepentanal
PubChem CID173295367
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-amino-2-propan-2-ylidenepentanal
SMILESCC(C)=C(C=O)CCCN
InChIInChI=1S/C8H15NO/c1-7(2)8(6-10)4-3-5-9/h6H,3-5,9H2,1-2H3
InChIKeyXHJACTVBGSHZOQ-UHFFFAOYSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 163515428
(E)-4-methylhex-4-en-1-amine
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6-amino-2-methylidenehexanal
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7-amino-2-methylhept-2-en-4-one
CID 116553411
5-amino-2-propan-2-ylidenepentanamide
CID 87060156
(E)-2-methylhex-1-ene-1,6-diamine
CID 122661834
ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine
CID 143945003
(2Z)-2-(3-fluorobutan-2-ylidene)heptanal
CID 88868773
2,3-dibutylhept-2-enal
CID 13086436
acetic acid;propane-1,3-diamine
CID 158444659
5-aminopentanamide;ethane
CID 145257040
5-amino-N-methyl-2-propan-2-ylidenepentanamide
CID 156782224

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-ylidenepentanal?
The IUPAC name of 5-amino-2-propan-2-ylidenepentanal (CID 173295367) is 5-amino-2-propan-2-ylidenepentanal.
What is the SMILES notation for 5-amino-2-propan-2-ylidenepentanal?
The canonical SMILES for 5-amino-2-propan-2-ylidenepentanal is CC(C)=C(C=O)CCCN.
What is the InChIKey of 5-amino-2-propan-2-ylidenepentanal?
The InChIKey is XHJACTVBGSHZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)8(6-10)4-3-5-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 5-amino-2-propan-2-ylidenepentanal?
5-amino-2-propan-2-ylidenepentanal has a molecular weight of 141.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-ylidenepentanal is sourced from PubChem (CID 173295367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).