2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine

C17H37N — CID 146612321

IUPAC2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine
SMILESCCCC(C)(C)NC(C)(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37N/c1-11-12-16(7,8)18-17(9,10)15(5,6)13-14(2,3)4/h18H,11-13H2,1-10H3
InChIKeyFZLBKSWLHZIVQL-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.40
Rot. Bonds6

About 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine

2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine (PubChem CID 146612321) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine
PubChem CID146612321
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine
SMILESCCCC(C)(C)NC(C)(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37N/c1-11-12-16(7,8)18-17(9,10)15(5,6)13-14(2,3)4/h18H,11-13H2,1-10H3
InChIKeyFZLBKSWLHZIVQL-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-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 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine?
The IUPAC name of 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine (CID 146612321) is 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine.
What is the SMILES notation for 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine?
The canonical SMILES for 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine is CCCC(C)(C)NC(C)(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine?
The InChIKey is FZLBKSWLHZIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-11-12-16(7,8)18-17(9,10)15(5,6)13-14(2,3)4/h18H,11-13H2,1-10H3.
What are the key properties of 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine?
2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine has a molecular weight of 255.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5-pentamethyl-N-(2-methylpentan-2-yl)hexan-2-amine is sourced from PubChem (CID 146612321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).