2-(pentylamino)propanal

C8H17NO — CID 22366874

IUPAC2-(pentylamino)propanal
SMILESCCCCCNC(C)C=O
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9-8(2)7-10/h7-9H,3-6H2,1-2H3
InChIKeySMGXBWXMNBEKHQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.35
Rot. Bonds6

About 2-(pentylamino)propanal

2-(pentylamino)propanal (PubChem CID 22366874) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(pentylamino)propanal.

Molecular Properties

Compound Name2-(pentylamino)propanal
PubChem CID22366874
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(pentylamino)propanal
SMILESCCCCCNC(C)C=O
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9-8(2)7-10/h7-9H,3-6H2,1-2H3
InChIKeySMGXBWXMNBEKHQ-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.35
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 2-(pentylamino)propanal?
The IUPAC name of 2-(pentylamino)propanal (CID 22366874) is 2-(pentylamino)propanal.
What is the SMILES notation for 2-(pentylamino)propanal?
The canonical SMILES for 2-(pentylamino)propanal is CCCCCNC(C)C=O.
What is the InChIKey of 2-(pentylamino)propanal?
The InChIKey is SMGXBWXMNBEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-9-8(2)7-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(pentylamino)propanal?
2-(pentylamino)propanal has a molecular weight of 143.23 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)propanal is sourced from PubChem (CID 22366874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).