3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal

C10H19NO — CID 62276594

IUPAC3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal
SMILESCN(CC1CC1)CC(C)(C)C=O
InChIInChI=1S/C10H19NO/c1-10(2,8-12)7-11(3)6-9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKeyHNHFLOVUIBWSFF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds5

About 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal

3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal (PubChem CID 62276594) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal
PubChem CID62276594
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal
SMILESCN(CC1CC1)CC(C)(C)C=O
InChIInChI=1S/C10H19NO/c1-10(2,8-12)7-11(3)6-9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKeyHNHFLOVUIBWSFF-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
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-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal (CID 62276594) is 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal is CN(CC1CC1)CC(C)(C)C=O.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal?
The InChIKey is HNHFLOVUIBWSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,8-12)7-11(3)6-9-4-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal?
3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal has a molecular weight of 169.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).