6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine

C29H61N — CID 126684746

IUPAC6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine
SMILESCCCC(CCC(C)C(C)C(C)C(C)CC(CC)C(C)CCCCNC)CC(C)C
InChIInChI=1S/C29H61N/c1-11-15-28(20-22(3)4)18-17-23(5)26(8)27(9)25(7)21-29(12-2)24(6)16-13-14-19-30-10/h22-30H,11-21H2,1-10H3
InChIKeyNDXMYAKOBMWBRM-UHFFFAOYSA-N
MW423.81 g/mol
LogP9.22
Rot. Bonds19

About 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine

6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine (PubChem CID 126684746) has the molecular formula C29H61N and a molecular weight of 423.81 g/mol. Its IUPAC name is 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine.

Molecular Properties

Compound Name6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine
PubChem CID126684746
Molecular FormulaC29H61N
Molecular Weight423.81 g/mol
Exact Mass423.48
IUPAC Name6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine
SMILESCCCC(CCC(C)C(C)C(C)C(C)CC(CC)C(C)CCCCNC)CC(C)C
InChIInChI=1S/C29H61N/c1-11-15-28(20-22(3)4)18-17-23(5)26(8)27(9)25(7)21-29(12-2)24(6)16-13-14-19-30-10/h22-30H,11-21H2,1-10H3
InChIKeyNDXMYAKOBMWBRM-UHFFFAOYSA-N
XLogP9.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.81
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine 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 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine?
The IUPAC name of 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine (CID 126684746) is 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine.
What is the SMILES notation for 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine?
The canonical SMILES for 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine is CCCC(CCC(C)C(C)C(C)C(C)CC(CC)C(C)CCCCNC)CC(C)C.
What is the InChIKey of 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine?
The InChIKey is NDXMYAKOBMWBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N/c1-11-15-28(20-22(3)4)18-17-23(5)26(8)27(9)25(7)21-29(12-2)24(6)16-13-14-19-30-10/h22-30H,11-21H2,1-10H3.
What are the key properties of 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine?
6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine has a molecular weight of 423.81 g/mol, XLogP of 9.22, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,5,8,9,10,11,16-heptamethyl-14-propylheptadecan-1-amine is sourced from PubChem (CID 126684746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).