2-[di(propan-2-yl)amino]pentanal

C11H23NO — CID 54207099

IUPAC2-[di(propan-2-yl)amino]pentanal
SMILESCCCC(C=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-7-11(8-13)12(9(2)3)10(4)5/h8-11H,6-7H2,1-5H3
InChIKeyOFHXQSMMFZRPOC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.47
Rot. Bonds6

About 2-[di(propan-2-yl)amino]pentanal

2-[di(propan-2-yl)amino]pentanal (PubChem CID 54207099) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]pentanal.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]pentanal
PubChem CID54207099
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[di(propan-2-yl)amino]pentanal
SMILESCCCC(C=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-7-11(8-13)12(9(2)3)10(4)5/h8-11H,6-7H2,1-5H3
InChIKeyOFHXQSMMFZRPOC-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]pentanal?
The IUPAC name of 2-[di(propan-2-yl)amino]pentanal (CID 54207099) is 2-[di(propan-2-yl)amino]pentanal.
What is the SMILES notation for 2-[di(propan-2-yl)amino]pentanal?
The canonical SMILES for 2-[di(propan-2-yl)amino]pentanal is CCCC(C=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]pentanal?
The InChIKey is OFHXQSMMFZRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-11(8-13)12(9(2)3)10(4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-[di(propan-2-yl)amino]pentanal?
2-[di(propan-2-yl)amino]pentanal has a molecular weight of 185.31 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]pentanal is sourced from PubChem (CID 54207099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).