12-chlorooctacosane;N-methylmethanamine

C30H64ClN — CID 122611467

IUPAC12-chlorooctacosane;N-methylmethanamine
SMILESCCCCCCCCCCCCCCCCC(Cl)CCCCCCCCCCC.CNC
InChIInChI=1S/C28H57Cl.C2H7N/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-28(29)26-24-22-20-18-12-10-8-6-4-2;1-3-2/h28H,3-27H2,1-2H3;3H,1-2H3
InChIKeyMEVXUFKXISNSOZ-UHFFFAOYSA-N
MW474.30 g/mol
LogP11.22
Rot. Bonds25

About 12-chlorooctacosane;N-methylmethanamine

12-chlorooctacosane;N-methylmethanamine (PubChem CID 122611467) has the molecular formula C30H64ClN and a molecular weight of 474.30 g/mol. Its IUPAC name is 12-chlorooctacosane;N-methylmethanamine.

Molecular Properties

Compound Name12-chlorooctacosane;N-methylmethanamine
PubChem CID122611467
Molecular FormulaC30H64ClN
Molecular Weight474.30 g/mol
Exact Mass473.47
IUPAC Name12-chlorooctacosane;N-methylmethanamine
SMILESCCCCCCCCCCCCCCCCC(Cl)CCCCCCCCCCC.CNC
InChIInChI=1S/C28H57Cl.C2H7N/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-28(29)26-24-22-20-18-12-10-8-6-4-2;1-3-2/h28H,3-27H2,1-2H3;3H,1-2H3
InChIKeyMEVXUFKXISNSOZ-UHFFFAOYSA-N
XLogP11.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.30
LogP ≤ 511.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12-chlorooctacosane;N-methylmethanamine 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-chlorohexacosane;N-methylmethanamine
CID 122613288
17-chlorotritriacontane
CID 87852962
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1-bromo-3-chloropentadecane
CID 122583656
azane;1,3-dichloropentadecane
CID 87123860
(2S)-1,2-dichlorododecane
CID 98052710
2-chlorooctadecan-1-ol
CID 14984660
N-methylmethanamine;octadecane
CID 18446151
7-chloro-1-iodoundecane
CID 122491544

Frequently Asked Questions

What is the IUPAC name of 12-chlorooctacosane;N-methylmethanamine?
The IUPAC name of 12-chlorooctacosane;N-methylmethanamine (CID 122611467) is 12-chlorooctacosane;N-methylmethanamine.
What is the SMILES notation for 12-chlorooctacosane;N-methylmethanamine?
The canonical SMILES for 12-chlorooctacosane;N-methylmethanamine is CCCCCCCCCCCCCCCCC(Cl)CCCCCCCCCCC.CNC.
What is the InChIKey of 12-chlorooctacosane;N-methylmethanamine?
The InChIKey is MEVXUFKXISNSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57Cl.C2H7N/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-28(29)26-24-22-20-18-12-10-8-6-4-2;1-3-2/h28H,3-27H2,1-2H3;3H,1-2H3.
What are the key properties of 12-chlorooctacosane;N-methylmethanamine?
12-chlorooctacosane;N-methylmethanamine has a molecular weight of 474.30 g/mol, XLogP of 11.22, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chlorooctacosane;N-methylmethanamine is sourced from PubChem (CID 122611467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).