2-amino-2-ethylhexanal

C8H17NO — CID 89415395

IUPAC2-amino-2-ethylhexanal
SMILESCCCCC(N)(C=O)CC
InChIInChI=1S/C8H17NO/c1-3-5-6-8(9,4-2)7-10/h7H,3-6,9H2,1-2H3
InChIKeyGTIXYZKIXMAXTA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds5

About 2-amino-2-ethylhexanal

2-amino-2-ethylhexanal (PubChem CID 89415395) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-amino-2-ethylhexanal.

Molecular Properties

Compound Name2-amino-2-ethylhexanal
PubChem CID89415395
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-amino-2-ethylhexanal
SMILESCCCCC(N)(C=O)CC
InChIInChI=1S/C8H17NO/c1-3-5-6-8(9,4-2)7-10/h7H,3-6,9H2,1-2H3
InChIKeyGTIXYZKIXMAXTA-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-methylhexanal
CID 144823365
2,2-dibutylpropanedial
CID 15324202
2-methyl-2-sulfanylhexanal
CID 88843028
2,2-diaminononadecanal
CID 174639671
3-ethylheptan-3-amine
CID 12708037
(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
CID 59070082
CID 59070082
5-ethylnonan-5-amine;hydrochloride
CID 174766496
2,2-diethylundecanal
CID 152675442
2-butyl-2-methoxypropanedial
CID 141040124
N-(5-formylnonan-5-yl)formamide
CID 173139788

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethylhexanal?
The IUPAC name of 2-amino-2-ethylhexanal (CID 89415395) is 2-amino-2-ethylhexanal.
What is the SMILES notation for 2-amino-2-ethylhexanal?
The canonical SMILES for 2-amino-2-ethylhexanal is CCCCC(N)(C=O)CC.
What is the InChIKey of 2-amino-2-ethylhexanal?
The InChIKey is GTIXYZKIXMAXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-6-8(9,4-2)7-10/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-amino-2-ethylhexanal?
2-amino-2-ethylhexanal has a molecular weight of 143.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethylhexanal is sourced from PubChem (CID 89415395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).