2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal

C10H21NO — CID 143181589

IUPAC2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal
SMILESCCC(C)(C)NCC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-6-10(4,5)11-7-9(2,3)8-12/h8,11H,6-7H2,1-5H3
InChIKeyNSKFXLXBPIECBC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal

2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal (PubChem CID 143181589) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal
PubChem CID143181589
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal
SMILESCCC(C)(C)NCC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-6-10(4,5)11-7-9(2,3)8-12/h8,11H,6-7H2,1-5H3
InChIKeyNSKFXLXBPIECBC-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal?
The IUPAC name of 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal (CID 143181589) is 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal?
The canonical SMILES for 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal is CCC(C)(C)NCC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal?
The InChIKey is NSKFXLXBPIECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(4,5)11-7-9(2,3)8-12/h8,11H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal?
2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal has a molecular weight of 171.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylbutan-2-ylamino)propanal is sourced from PubChem (CID 143181589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).