4-(aminomethyl)-2-hydroxy-8-methylnonanal

C11H23NO2 — CID 126625118

IUPAC4-(aminomethyl)-2-hydroxy-8-methylnonanal
SMILESCC(C)CCCC(CN)CC(O)C=O
InChIInChI=1S/C11H23NO2/c1-9(2)4-3-5-10(7-12)6-11(14)8-13/h8-11,14H,3-7,12H2,1-2H3
InChIKeyDBHIDAYUECPPMH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.34
Rot. Bonds8

About 4-(aminomethyl)-2-hydroxy-8-methylnonanal

4-(aminomethyl)-2-hydroxy-8-methylnonanal (PubChem CID 126625118) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(aminomethyl)-2-hydroxy-8-methylnonanal.

Molecular Properties

Compound Name4-(aminomethyl)-2-hydroxy-8-methylnonanal
PubChem CID126625118
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(aminomethyl)-2-hydroxy-8-methylnonanal
SMILESCC(C)CCCC(CN)CC(O)C=O
InChIInChI=1S/C11H23NO2/c1-9(2)4-3-5-10(7-12)6-11(14)8-13/h8-11,14H,3-7,12H2,1-2H3
InChIKeyDBHIDAYUECPPMH-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-hydroxy-8-methylnonanal 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

9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
CID 139249170
4-ethyl-2,8-dimethylnonanal
CID 122553306
(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
CID 53241384
15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
CID 139255014
2-hydroxy-3,7,11,15-tetramethylhexadecanal
CID 91588930
(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
CID 139665627
2-(2-methylpropyl)heptan-1-amine
CID 62505521
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
2-(4-methylpentyl)propane-1,3-diol
CID 83169762
3-hydroxy-4,8-dimethylnonanal
CID 87291569
2-(2-methylpropyl)decan-1-amine
CID 63498111
16-methyl-2-propan-2-ylheptadecanal
CID 19810327

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-hydroxy-8-methylnonanal?
The IUPAC name of 4-(aminomethyl)-2-hydroxy-8-methylnonanal (CID 126625118) is 4-(aminomethyl)-2-hydroxy-8-methylnonanal.
What is the SMILES notation for 4-(aminomethyl)-2-hydroxy-8-methylnonanal?
The canonical SMILES for 4-(aminomethyl)-2-hydroxy-8-methylnonanal is CC(C)CCCC(CN)CC(O)C=O.
What is the InChIKey of 4-(aminomethyl)-2-hydroxy-8-methylnonanal?
The InChIKey is DBHIDAYUECPPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)4-3-5-10(7-12)6-11(14)8-13/h8-11,14H,3-7,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-hydroxy-8-methylnonanal?
4-(aminomethyl)-2-hydroxy-8-methylnonanal has a molecular weight of 201.31 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-hydroxy-8-methylnonanal is sourced from PubChem (CID 126625118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).