3-[bis(2-methylpropyl)amino]propanal

C11H23NO — CID 54087082

IUPAC3-[bis(2-methylpropyl)amino]propanal
SMILESCC(C)CN(CCC=O)CC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)8-12(6-5-7-13)9-11(3)4/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyDLCRZRFKWMRANP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]propanal

3-[bis(2-methylpropyl)amino]propanal (PubChem CID 54087082) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]propanal.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]propanal
PubChem CID54087082
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[bis(2-methylpropyl)amino]propanal
SMILESCC(C)CN(CCC=O)CC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)8-12(6-5-7-13)9-11(3)4/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyDLCRZRFKWMRANP-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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 3-[bis(2-methylpropyl)amino]propanal?
The IUPAC name of 3-[bis(2-methylpropyl)amino]propanal (CID 54087082) is 3-[bis(2-methylpropyl)amino]propanal.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]propanal?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]propanal is CC(C)CN(CCC=O)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]propanal?
The InChIKey is DLCRZRFKWMRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)8-12(6-5-7-13)9-11(3)4/h7,10-11H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]propanal?
3-[bis(2-methylpropyl)amino]propanal has a molecular weight of 185.31 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]propanal is sourced from PubChem (CID 54087082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).