2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal

C11H24N2O — CID 166698561

IUPAC2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal
SMILESCC(C)CN(C)C(C=O)CNC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)7-13(5)11(8-14)6-12-10(3)4/h8-12H,6-7H2,1-5H3
InChIKeyXBSVHNRXHYOEPF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds7

About 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal

2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal (PubChem CID 166698561) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal
PubChem CID166698561
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal
SMILESCC(C)CN(C)C(C=O)CNC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)7-13(5)11(8-14)6-12-10(3)4/h8-12H,6-7H2,1-5H3
InChIKeyXBSVHNRXHYOEPF-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal (CID 166698561) is 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal is CC(C)CN(C)C(C=O)CNC(C)C.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal?
The InChIKey is XBSVHNRXHYOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)7-13(5)11(8-14)6-12-10(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal?
2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal has a molecular weight of 200.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal is sourced from PubChem (CID 166698561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).