3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine

C24H49N — CID 89484286

IUPAC3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine
SMILES[H]/N=C(\C)C(C)(CC)C(C)(CC)C(C)(CC)C(C)(CC)C(C)(CC)CC
InChIInChI=1S/C24H49N/c1-13-20(8,14-2)22(10,16-4)24(12,18-6)23(11,17-5)21(9,15-3)19(7)25/h25H,13-18H2,1-12H3/b25-19+
InChIKeyCCXIOCXQHYXTGP-NCELDCMTSA-N
MW351.66 g/mol
LogP8.52
Rot. Bonds11

About 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine

3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine (PubChem CID 89484286) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine.

Molecular Properties

Compound Name3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine
PubChem CID89484286
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine
SMILES[H]/N=C(\C)C(C)(CC)C(C)(CC)C(C)(CC)C(C)(CC)C(C)(CC)CC
InChIInChI=1S/C24H49N/c1-13-20(8,14-2)22(10,16-4)24(12,18-6)23(11,17-5)21(9,15-3)19(7)25/h25H,13-18H2,1-12H3/b25-19+
InChIKeyCCXIOCXQHYXTGP-NCELDCMTSA-N
XLogP8.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-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 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine?
The IUPAC name of 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine (CID 89484286) is 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine.
What is the SMILES notation for 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine?
The canonical SMILES for 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine is [H]/N=C(\C)C(C)(CC)C(C)(CC)C(C)(CC)C(C)(CC)C(C)(CC)CC.
What is the InChIKey of 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine?
The InChIKey is CCXIOCXQHYXTGP-NCELDCMTSA-N. The full InChI is InChI=1S/C24H49N/c1-13-20(8,14-2)22(10,16-4)24(12,18-6)23(11,17-5)21(9,15-3)19(7)25/h25H,13-18H2,1-12H3/b25-19+.
What are the key properties of 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine?
3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine has a molecular weight of 351.66 g/mol, XLogP of 8.52, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7-pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine is sourced from PubChem (CID 89484286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).