4-(methylaminomethyl)hexanal

C8H17NO — CID 170602514

IUPAC4-(methylaminomethyl)hexanal
SMILESCCC(CCC=O)CNC
InChIInChI=1S/C8H17NO/c1-3-8(7-9-2)5-4-6-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyODKDDGFPHRMWSH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds6

About 4-(methylaminomethyl)hexanal

4-(methylaminomethyl)hexanal (PubChem CID 170602514) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(methylaminomethyl)hexanal.

Molecular Properties

Compound Name4-(methylaminomethyl)hexanal
PubChem CID170602514
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(methylaminomethyl)hexanal
SMILESCCC(CCC=O)CNC
InChIInChI=1S/C8H17NO/c1-3-8(7-9-2)5-4-6-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyODKDDGFPHRMWSH-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(methylaminomethyl)hexanal 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

2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
2-ethyl-N-methylundecan-1-amine
CID 63522579
triethyl(3-oxopropyl)phosphanium
CID 89178953
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
5-ethylundecanal
CID 54527856
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
4-butyloctanal;titanium
CID 175088006
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
4-sulfanylhexanal
CID 174812634

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)hexanal?
The IUPAC name of 4-(methylaminomethyl)hexanal (CID 170602514) is 4-(methylaminomethyl)hexanal.
What is the SMILES notation for 4-(methylaminomethyl)hexanal?
The canonical SMILES for 4-(methylaminomethyl)hexanal is CCC(CCC=O)CNC.
What is the InChIKey of 4-(methylaminomethyl)hexanal?
The InChIKey is ODKDDGFPHRMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(7-9-2)5-4-6-10/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)hexanal?
4-(methylaminomethyl)hexanal has a molecular weight of 143.23 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)hexanal is sourced from PubChem (CID 170602514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).