N-[2-(trimethoxymethyl)decyl]cyclohexanamine

C20H41NO3 — CID 150516092

IUPACN-[2-(trimethoxymethyl)decyl]cyclohexanamine
SMILESCCCCCCCCC(CNC1CCCCC1)C(OC)(OC)OC
InChIInChI=1S/C20H41NO3/c1-5-6-7-8-9-11-14-18(20(22-2,23-3)24-4)17-21-19-15-12-10-13-16-19/h18-19,21H,5-17H2,1-4H3
InChIKeyIAVRLMKUDVHMMF-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.87
Rot. Bonds14

About N-[2-(trimethoxymethyl)decyl]cyclohexanamine

N-[2-(trimethoxymethyl)decyl]cyclohexanamine (PubChem CID 150516092) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-[2-(trimethoxymethyl)decyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(trimethoxymethyl)decyl]cyclohexanamine
PubChem CID150516092
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-[2-(trimethoxymethyl)decyl]cyclohexanamine
SMILESCCCCCCCCC(CNC1CCCCC1)C(OC)(OC)OC
InChIInChI=1S/C20H41NO3/c1-5-6-7-8-9-11-14-18(20(22-2,23-3)24-4)17-21-19-15-12-10-13-16-19/h18-19,21H,5-17H2,1-4H3
InChIKeyIAVRLMKUDVHMMF-UHFFFAOYSA-N
XLogP4.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-(trimethoxymethyl)decyl]cyclohexanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(trimethoxymethyl)decyl]cyclohexanamine?
The IUPAC name of N-[2-(trimethoxymethyl)decyl]cyclohexanamine (CID 150516092) is N-[2-(trimethoxymethyl)decyl]cyclohexanamine.
What is the SMILES notation for N-[2-(trimethoxymethyl)decyl]cyclohexanamine?
The canonical SMILES for N-[2-(trimethoxymethyl)decyl]cyclohexanamine is CCCCCCCCC(CNC1CCCCC1)C(OC)(OC)OC.
What is the InChIKey of N-[2-(trimethoxymethyl)decyl]cyclohexanamine?
The InChIKey is IAVRLMKUDVHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-5-6-7-8-9-11-14-18(20(22-2,23-3)24-4)17-21-19-15-12-10-13-16-19/h18-19,21H,5-17H2,1-4H3.
What are the key properties of N-[2-(trimethoxymethyl)decyl]cyclohexanamine?
N-[2-(trimethoxymethyl)decyl]cyclohexanamine has a molecular weight of 343.55 g/mol, XLogP of 4.87, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trimethoxymethyl)decyl]cyclohexanamine is sourced from PubChem (CID 150516092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).