4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde

C10H12N2O — CID 90375224

IUPAC4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(CNC2CC2)ccn1
InChIInChI=1S/C10H12N2O/c13-7-10-5-8(3-4-11-10)6-12-9-1-2-9/h3-5,7,9,12H,1-2,6H2
InChIKeyMAJWEBKCHJIJKI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.15
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde

4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde (PubChem CID 90375224) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde
PubChem CID90375224
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(CNC2CC2)ccn1
InChIInChI=1S/C10H12N2O/c13-7-10-5-8(3-4-11-10)6-12-9-1-2-9/h3-5,7,9,12H,1-2,6H2
InChIKeyMAJWEBKCHJIJKI-UHFFFAOYSA-N
XLogP1.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-4-pyridinyl)methylamino]cyclohexan-1-ol
CID 23396980
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
N-[[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 62291856
N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62283972
4-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylpyridin-2-amine
CID 62292831
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 62296267

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde?
The IUPAC name of 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde (CID 90375224) is 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde?
The canonical SMILES for 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde is O=Cc1cc(CNC2CC2)ccn1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde?
The InChIKey is MAJWEBKCHJIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-7-10-5-8(3-4-11-10)6-12-9-1-2-9/h3-5,7,9,12H,1-2,6H2.
What are the key properties of 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde?
4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 90375224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).