2-(hexylamino)acetaldehyde

C8H17NO — CID 20548465

IUPAC2-(hexylamino)acetaldehyde
SMILESCCCCCCNCC=O
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h8-9H,2-7H2,1H3
InChIKeyIQTNFHWNOKDZPL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.36
Rot. Bonds7

About 2-(hexylamino)acetaldehyde

2-(hexylamino)acetaldehyde (PubChem CID 20548465) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(hexylamino)acetaldehyde.

Molecular Properties

Compound Name2-(hexylamino)acetaldehyde
PubChem CID20548465
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(hexylamino)acetaldehyde
SMILESCCCCCCNCC=O
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h8-9H,2-7H2,1H3
InChIKeyIQTNFHWNOKDZPL-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.36
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

(2S)-2-(cyclohexylamino)propanal
CID 18666973
2-(Dodecylamino) ethanal
CID 19008509
N-decylaminoacetaldehyde
CID 87184304
2-(Cyclohexylamino)-2-methylpropanal
CID 11116466
2-(6-Aminohexylamino)acetaldehyde
CID 18358431
2-(Butylamino)acetaldehyde
CID 18690825
6-Amino-2-(propan-2-ylamino)hexanal
CID 19882121
2-(Tetradecylamino)acetaldehyde
CID 19937302
3-(Dodecylamino)propanal
CID 19937303
2-(1,4-Dimethylpentylamino)acetaldehyde
CID 20307400
2-(1-Methylhexylamino)acetaldehyde
CID 20307416
2-(Pentylamino)acetaldehyde
CID 20548449

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)acetaldehyde?
The IUPAC name of 2-(hexylamino)acetaldehyde (CID 20548465) is 2-(hexylamino)acetaldehyde.
What is the SMILES notation for 2-(hexylamino)acetaldehyde?
The canonical SMILES for 2-(hexylamino)acetaldehyde is CCCCCCNCC=O.
What is the InChIKey of 2-(hexylamino)acetaldehyde?
The InChIKey is IQTNFHWNOKDZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-(hexylamino)acetaldehyde?
2-(hexylamino)acetaldehyde has a molecular weight of 143.23 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)acetaldehyde is sourced from PubChem (CID 20548465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).