2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal

C11H21NO — CID 63866290

IUPAC2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal
SMILESCC1CC1CN(C)CC(C)(C)C=O
InChIInChI=1S/C11H21NO/c1-9-5-10(9)6-12(4)7-11(2,3)8-13/h8-10H,5-7H2,1-4H3
InChIKeyRDUPRDDOXLXMIN-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.80
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal

2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal (PubChem CID 63866290) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal
PubChem CID63866290
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal
SMILESCC1CC1CN(C)CC(C)(C)C=O
InChIInChI=1S/C11H21NO/c1-9-5-10(9)6-12(4)7-11(2,3)8-13/h8-10H,5-7H2,1-4H3
InChIKeyRDUPRDDOXLXMIN-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.80
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 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal (CID 63866290) is 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal is CC1CC1CN(C)CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal?
The InChIKey is RDUPRDDOXLXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-10(9)6-12(4)7-11(2,3)8-13/h8-10H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal?
2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal has a molecular weight of 183.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal is sourced from PubChem (CID 63866290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).