2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine

C20H43N — CID 20517292

IUPAC2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine
SMILESCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C20H43N/c1-16(2,3)12-17(4,5)13-18(6,7)14-19(8,9)15-20(10,11)21/h12-15,21H2,1-11H3
InChIKeyOSEWZBWXLMYGLT-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.41
Rot. Bonds7

About 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine

2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine (PubChem CID 20517292) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine.

Molecular Properties

Compound Name2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine
PubChem CID20517292
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine
SMILESCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C20H43N/c1-16(2,3)12-17(4,5)13-18(6,7)14-19(8,9)15-20(10,11)21/h12-15,21H2,1-11H3
InChIKeyOSEWZBWXLMYGLT-UHFFFAOYSA-N
XLogP6.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine?
The IUPAC name of 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine (CID 20517292) is 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine.
What is the SMILES notation for 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine?
The canonical SMILES for 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine is CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine?
The InChIKey is OSEWZBWXLMYGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-16(2,3)12-17(4,5)13-18(6,7)14-19(8,9)15-20(10,11)21/h12-15,21H2,1-11H3.
What are the key properties of 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine?
2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine has a molecular weight of 297.57 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8,8,10,10-nonamethylundecan-2-amine is sourced from PubChem (CID 20517292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).