N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine

C16H35N — CID 19083274

IUPACN-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
SMILESCC(C)CCC(C)CNCC(C)CCC(C)C
InChIInChI=1S/C16H35N/c1-13(2)7-9-15(5)11-17-12-16(6)10-8-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyNLYZAYVEHQTBJS-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.72
Rot. Bonds10

About N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine

N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine (PubChem CID 19083274) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
PubChem CID19083274
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
SMILESCC(C)CCC(C)CNCC(C)CCC(C)C
InChIInChI=1S/C16H35N/c1-13(2)7-9-15(5)11-17-12-16(6)10-8-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyNLYZAYVEHQTBJS-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,5-dimethylhexyl)-2,5-dimethylhexan-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 N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine?
The IUPAC name of N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine (CID 19083274) is N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine.
What is the SMILES notation for N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine?
The canonical SMILES for N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine is CC(C)CCC(C)CNCC(C)CCC(C)C.
What is the InChIKey of N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine?
The InChIKey is NLYZAYVEHQTBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-13(2)7-9-15(5)11-17-12-16(6)10-8-14(3)4/h13-17H,7-12H2,1-6H3.
What are the key properties of N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine?
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine is sourced from PubChem (CID 19083274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).