2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde

C7H14N2O — CID 163411637

IUPAC2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
SMILESCNCCC1(N)CC1C=O
InChIInChI=1S/C7H14N2O/c1-9-3-2-7(8)4-6(7)5-10/h5-6,9H,2-4,8H2,1H3
InChIKeyAAZMLDZNLMGBEF-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.49
Rot. Bonds4

About 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde

2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde (PubChem CID 163411637) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
PubChem CID163411637
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
SMILESCNCCC1(N)CC1C=O
InChIInChI=1S/C7H14N2O/c1-9-3-2-7(8)4-6(7)5-10/h5-6,9H,2-4,8H2,1H3
InChIKeyAAZMLDZNLMGBEF-UHFFFAOYSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde (CID 163411637) is 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde is CNCCC1(N)CC1C=O.
What is the InChIKey of 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
The InChIKey is AAZMLDZNLMGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-3-2-7(8)4-6(7)5-10/h5-6,9H,2-4,8H2,1H3.
What are the key properties of 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 163411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).