4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde

C17H27NO — CID 139243151

IUPAC4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde
SMILESCCN(CC)c1c(C(C)C)cc(C=O)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-7-18(8-2)17-15(12(3)4)9-14(11-19)10-16(17)13(5)6/h9-13H,7-8H2,1-6H3
InChIKeyRAPWDRXJXNDPPP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.59
Rot. Bonds6

About 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde

4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde (PubChem CID 139243151) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde
PubChem CID139243151
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde
SMILESCCN(CC)c1c(C(C)C)cc(C=O)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-7-18(8-2)17-15(12(3)4)9-14(11-19)10-16(17)13(5)6/h9-13H,7-8H2,1-6H3
InChIKeyRAPWDRXJXNDPPP-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde?
The IUPAC name of 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde (CID 139243151) is 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde?
The canonical SMILES for 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde is CCN(CC)c1c(C(C)C)cc(C=O)cc1C(C)C.
What is the InChIKey of 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde?
The InChIKey is RAPWDRXJXNDPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-18(8-2)17-15(12(3)4)9-14(11-19)10-16(17)13(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde?
4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde has a molecular weight of 261.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3,5-di(propan-2-yl)benzaldehyde is sourced from PubChem (CID 139243151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).