3-amino-2-(3-methylpiperidin-1-yl)propanal

C9H18N2O — CID 174430520

IUPAC3-amino-2-(3-methylpiperidin-1-yl)propanal
SMILESCC1CCCN(C(C=O)CN)C1
InChIInChI=1S/C9H18N2O/c1-8-3-2-4-11(6-8)9(5-10)7-12/h7-9H,2-6,10H2,1H3
InChIKeyIYDKHNBYTXGNIJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.24
Rot. Bonds3

About 3-amino-2-(3-methylpiperidin-1-yl)propanal

3-amino-2-(3-methylpiperidin-1-yl)propanal (PubChem CID 174430520) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-2-(3-methylpiperidin-1-yl)propanal.

Molecular Properties

Compound Name3-amino-2-(3-methylpiperidin-1-yl)propanal
PubChem CID174430520
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-2-(3-methylpiperidin-1-yl)propanal
SMILESCC1CCCN(C(C=O)CN)C1
InChIInChI=1S/C9H18N2O/c1-8-3-2-4-11(6-8)9(5-10)7-12/h7-9H,2-6,10H2,1H3
InChIKeyIYDKHNBYTXGNIJ-UHFFFAOYSA-N
XLogP0.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-(3-methylpiperidin-1-yl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-piperidin-1-ylpropanal
CID 131967781
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
CID 168861294
2-(4-tert-butylcyclohexyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 104575324
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
1-ethylsulfanyl-3-methylpiperidine
CID 142366557
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 79408333
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methylpiperidin-1-yl)propanal?
The IUPAC name of 3-amino-2-(3-methylpiperidin-1-yl)propanal (CID 174430520) is 3-amino-2-(3-methylpiperidin-1-yl)propanal.
What is the SMILES notation for 3-amino-2-(3-methylpiperidin-1-yl)propanal?
The canonical SMILES for 3-amino-2-(3-methylpiperidin-1-yl)propanal is CC1CCCN(C(C=O)CN)C1.
What is the InChIKey of 3-amino-2-(3-methylpiperidin-1-yl)propanal?
The InChIKey is IYDKHNBYTXGNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-3-2-4-11(6-8)9(5-10)7-12/h7-9H,2-6,10H2,1H3.
What are the key properties of 3-amino-2-(3-methylpiperidin-1-yl)propanal?
3-amino-2-(3-methylpiperidin-1-yl)propanal has a molecular weight of 170.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylpiperidin-1-yl)propanal is sourced from PubChem (CID 174430520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).