1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde

C7H13NO — CID 156848260

IUPAC1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde
SMILESCCN(C)C1(C=O)CC1
InChIInChI=1S/C7H13NO/c1-3-8(2)7(6-9)4-5-7/h6H,3-5H2,1-2H3
InChIKeyZRAPZHLCVKRIOP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.67
Rot. Bonds3

About 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde

1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde (PubChem CID 156848260) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde
PubChem CID156848260
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde
SMILESCCN(C)C1(C=O)CC1
InChIInChI=1S/C7H13NO/c1-3-8(2)7(6-9)4-5-7/h6H,3-5H2,1-2H3
InChIKeyZRAPZHLCVKRIOP-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.67
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 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde (CID 156848260) is 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde is CCN(C)C1(C=O)CC1.
What is the InChIKey of 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde?
The InChIKey is ZRAPZHLCVKRIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-8(2)7(6-9)4-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde?
1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 156848260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).