(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde

C7H13NO — CID 135388373

IUPAC(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde
SMILESCN[C@H](C=O)C1(C)CC1
InChIInChI=1S/C7H13NO/c1-7(3-4-7)6(5-9)8-2/h5-6,8H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyQYABAHFXEDHOCR-ZCFIWIBFSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds3

About (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde

(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde (PubChem CID 135388373) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde
PubChem CID135388373
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde
SMILESCN[C@H](C=O)C1(C)CC1
InChIInChI=1S/C7H13NO/c1-7(3-4-7)6(5-9)8-2/h5-6,8H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyQYABAHFXEDHOCR-ZCFIWIBFSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde?
The IUPAC name of (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde (CID 135388373) is (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde.
What is the SMILES notation for (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde?
The canonical SMILES for (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde is CN[C@H](C=O)C1(C)CC1.
What is the InChIKey of (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde?
The InChIKey is QYABAHFXEDHOCR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(3-4-7)6(5-9)8-2/h5-6,8H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde?
(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde is sourced from PubChem (CID 135388373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).