2-(pentylamino)acetaldehyde

C7H15NO — CID 20548449

IUPAC2-(pentylamino)acetaldehyde
SMILESCCCCCNCC=O
InChIInChI=1S/C7H15NO/c1-2-3-4-5-8-6-7-9/h7-8H,2-6H2,1H3
InChIKeyLXZRICJAWRSPSP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.97
Rot. Bonds6

About 2-(pentylamino)acetaldehyde

2-(pentylamino)acetaldehyde (PubChem CID 20548449) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(pentylamino)acetaldehyde.

Molecular Properties

Compound Name2-(pentylamino)acetaldehyde
PubChem CID20548449
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(pentylamino)acetaldehyde
SMILESCCCCCNCC=O
InChIInChI=1S/C7H15NO/c1-2-3-4-5-8-6-7-9/h7-8H,2-6H2,1H3
InChIKeyLXZRICJAWRSPSP-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.97
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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Related Compounds

2-(Dodecylamino) ethanal
CID 19008509
2-(Propylamino)propanal
CID 23405034
N-decylaminoacetaldehyde
CID 87184304
2-(6-Aminohexylamino)acetaldehyde
CID 18358431
2-(Butylamino)acetaldehyde
CID 18690825
2-(Butylamino)propanal
CID 18690826
2-[(2-Methylpropyl)amino]acetaldehyde
CID 19606778
2-Amino-2-(butylamino)acetaldehyde
CID 20199277
2-(1-Methylhexylamino)acetaldehyde
CID 20307416
2-Ethylaminoacetaldehyde
CID 20548464
2-(Hexylamino)acetaldehyde
CID 20548465
2-Propylaminoacetaldehyde
CID 20548466

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)acetaldehyde?
The IUPAC name of 2-(pentylamino)acetaldehyde (CID 20548449) is 2-(pentylamino)acetaldehyde.
What is the SMILES notation for 2-(pentylamino)acetaldehyde?
The canonical SMILES for 2-(pentylamino)acetaldehyde is CCCCCNCC=O.
What is the InChIKey of 2-(pentylamino)acetaldehyde?
The InChIKey is LXZRICJAWRSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-4-5-8-6-7-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-(pentylamino)acetaldehyde?
2-(pentylamino)acetaldehyde has a molecular weight of 129.20 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)acetaldehyde is sourced from PubChem (CID 20548449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).