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

C7H13NO — CID 144732872

IUPAC1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
SMILESCNCCC1(C=O)CC1
InChIInChI=1S/C7H13NO/c1-8-5-4-7(6-9)2-3-7/h6,8H,2-5H2,1H3
InChIKeyHOFPHLJHUCBSAW-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds4

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

1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde (PubChem CID 144732872) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
PubChem CID144732872
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
SMILESCNCCC1(C=O)CC1
InChIInChI=1S/C7H13NO/c1-8-5-4-7(6-9)2-3-7/h6,8H,2-5H2,1H3
InChIKeyHOFPHLJHUCBSAW-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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Related Compounds

4-Methylpiperidine-4-carbaldehyde;hydrobromide
CID 20262409
4-Methylpiperidine-4-carbaldehyde
CID 20262410
2,2-Dimethyl-4-(methylamino)butanal
CID 20740600
3,3-Dimethyl-4-(methylamino)-1-tritiobutan-1-one
CID 60098586
2,2-Dimethyl-4-(methylamino)-1-tritiobutan-1-one
CID 60098587
2-Ethyl-4-(methylamino)butanal
CID 88898508
1-(2-Aminoethyl)cyclopropane-1-carbaldehyde
CID 89386710
(2S)-2-(methylamino)-2-(1-methylcyclopropyl)acetaldehyde
CID 135388373
4-Methylpiperidine-4-carbaldehyde;hydrochloride
CID 141507002
4-Ethylpiperidine-4-carbaldehyde
CID 143495317
3,3-Dimethyl-2-[2-(methylamino)ethyl]butanal
CID 144246770
2-[1-(Methylaminomethyl)cyclopropyl]acetaldehyde
CID 144732879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde (CID 144732872) is 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde is CNCCC1(C=O)CC1.
What is the InChIKey of 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
The InChIKey is HOFPHLJHUCBSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-4-7(6-9)2-3-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde?
1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde 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 1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 144732872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).