N-methyl-4,6-dipropylnonan-5-imine

C16H33N — CID 58610477

IUPACN-methyl-4,6-dipropylnonan-5-imine
SMILESCCCC(CCC)C(=NC)C(CCC)CCC
InChIInChI=1S/C16H33N/c1-6-10-14(11-7-2)16(17-5)15(12-8-3)13-9-4/h14-15H,6-13H2,1-5H3
InChIKeyPDYCUYKXNDWDKH-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.49
Rot. Bonds10

About N-methyl-4,6-dipropylnonan-5-imine

N-methyl-4,6-dipropylnonan-5-imine (PubChem CID 58610477) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-methyl-4,6-dipropylnonan-5-imine.

Molecular Properties

Compound NameN-methyl-4,6-dipropylnonan-5-imine
PubChem CID58610477
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-methyl-4,6-dipropylnonan-5-imine
SMILESCCCC(CCC)C(=NC)C(CCC)CCC
InChIInChI=1S/C16H33N/c1-6-10-14(11-7-2)16(17-5)15(12-8-3)13-9-4/h14-15H,6-13H2,1-5H3
InChIKeyPDYCUYKXNDWDKH-UHFFFAOYSA-N
XLogP5.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-methyl-4,6-dipropylnonan-5-imine 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-methyl-4,6-dipropylnonan-5-imine?
The IUPAC name of N-methyl-4,6-dipropylnonan-5-imine (CID 58610477) is N-methyl-4,6-dipropylnonan-5-imine.
What is the SMILES notation for N-methyl-4,6-dipropylnonan-5-imine?
The canonical SMILES for N-methyl-4,6-dipropylnonan-5-imine is CCCC(CCC)C(=NC)C(CCC)CCC.
What is the InChIKey of N-methyl-4,6-dipropylnonan-5-imine?
The InChIKey is PDYCUYKXNDWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-10-14(11-7-2)16(17-5)15(12-8-3)13-9-4/h14-15H,6-13H2,1-5H3.
What are the key properties of N-methyl-4,6-dipropylnonan-5-imine?
N-methyl-4,6-dipropylnonan-5-imine has a molecular weight of 239.45 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,6-dipropylnonan-5-imine is sourced from PubChem (CID 58610477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).