2-(2-aminoethyl)heptanal

C9H19NO — CID 163417417

IUPAC2-(2-aminoethyl)heptanal
SMILESCCCCCC(C=O)CCN
InChIInChI=1S/C9H19NO/c1-2-3-4-5-9(8-11)6-7-10/h8-9H,2-7,10H2,1H3
InChIKeyAFPWTBXPAULQME-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.73
Rot. Bonds7

About 2-(2-aminoethyl)heptanal

2-(2-aminoethyl)heptanal (PubChem CID 163417417) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)heptanal.

Molecular Properties

Compound Name2-(2-aminoethyl)heptanal
PubChem CID163417417
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2-aminoethyl)heptanal
SMILESCCCCCC(C=O)CCN
InChIInChI=1S/C9H19NO/c1-2-3-4-5-9(8-11)6-7-10/h8-9H,2-7,10H2,1H3
InChIKeyAFPWTBXPAULQME-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.73
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-ethylheptadecanal
CID 18629573
2-(6-chlorohexyl)dodecanal
CID 175197438
2-(2-chloroethyl)decanal
CID 175197412
2-undecylpentadecanedial
CID 91207185
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
2-prop-2-enyloctadecanal
CID 173235739
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
2-(2-oxopropyl)heptanal
CID 10442122
2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;phosphane
CID 174518467

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)heptanal?
The IUPAC name of 2-(2-aminoethyl)heptanal (CID 163417417) is 2-(2-aminoethyl)heptanal.
What is the SMILES notation for 2-(2-aminoethyl)heptanal?
The canonical SMILES for 2-(2-aminoethyl)heptanal is CCCCCC(C=O)CCN.
What is the InChIKey of 2-(2-aminoethyl)heptanal?
The InChIKey is AFPWTBXPAULQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-4-5-9(8-11)6-7-10/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-(2-aminoethyl)heptanal?
2-(2-aminoethyl)heptanal has a molecular weight of 157.26 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)heptanal is sourced from PubChem (CID 163417417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).