N-(2,2,5,5-tetramethylhexyl)cyclopropanamine

C13H27N — CID 62725148

IUPACN-(2,2,5,5-tetramethylhexyl)cyclopropanamine
SMILESCC(C)(C)CCC(C)(C)CNC1CC1
InChIInChI=1S/C13H27N/c1-12(2,3)8-9-13(4,5)10-14-11-6-7-11/h11,14H,6-10H2,1-5H3
InChIKeySPPBRZAZLJGICP-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About N-(2,2,5,5-tetramethylhexyl)cyclopropanamine

N-(2,2,5,5-tetramethylhexyl)cyclopropanamine (PubChem CID 62725148) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethylhexyl)cyclopropanamine
PubChem CID62725148
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(2,2,5,5-tetramethylhexyl)cyclopropanamine
SMILESCC(C)(C)CCC(C)(C)CNC1CC1
InChIInChI=1S/C13H27N/c1-12(2,3)8-9-13(4,5)10-14-11-6-7-11/h11,14H,6-10H2,1-5H3
InChIKeySPPBRZAZLJGICP-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2,5,5-tetramethylhexyl)cyclopropanamine 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-(2,2,5,5-tetramethylhexyl)cyclopropanamine?
The IUPAC name of N-(2,2,5,5-tetramethylhexyl)cyclopropanamine (CID 62725148) is N-(2,2,5,5-tetramethylhexyl)cyclopropanamine.
What is the SMILES notation for N-(2,2,5,5-tetramethylhexyl)cyclopropanamine?
The canonical SMILES for N-(2,2,5,5-tetramethylhexyl)cyclopropanamine is CC(C)(C)CCC(C)(C)CNC1CC1.
What is the InChIKey of N-(2,2,5,5-tetramethylhexyl)cyclopropanamine?
The InChIKey is SPPBRZAZLJGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)8-9-13(4,5)10-14-11-6-7-11/h11,14H,6-10H2,1-5H3.
What are the key properties of N-(2,2,5,5-tetramethylhexyl)cyclopropanamine?
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethylhexyl)cyclopropanamine is sourced from PubChem (CID 62725148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).