2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde

C7H13NO — CID 144732879

IUPAC2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde
SMILESCNCC1(CC=O)CC1
InChIInChI=1S/C7H13NO/c1-8-6-7(2-3-7)4-5-9/h5,8H,2-4,6H2,1H3
InChIKeyYGYZWDGUVQFBBQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds4

About 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde

2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde (PubChem CID 144732879) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde
PubChem CID144732879
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde
SMILESCNCC1(CC=O)CC1
InChIInChI=1S/C7H13NO/c1-8-6-7(2-3-7)4-5-9/h5,8H,2-4,6H2,1H3
InChIKeyYGYZWDGUVQFBBQ-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
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-[1-(methylaminomethyl)cyclopropyl]acetaldehyde?
The IUPAC name of 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde (CID 144732879) is 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde?
The canonical SMILES for 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde is CNCC1(CC=O)CC1.
What is the InChIKey of 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde?
The InChIKey is YGYZWDGUVQFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-7(2-3-7)4-5-9/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde?
2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylaminomethyl)cyclopropyl]acetaldehyde is sourced from PubChem (CID 144732879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).