N-tert-butyl-N,7,7-trimethyloctan-1-amine

C15H33N — CID 176737662

IUPACN-tert-butyl-N,7,7-trimethyloctan-1-amine
SMILESCN(CCCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-14(2,3)12-10-8-9-11-13-16(7)15(4,5)6/h8-13H2,1-7H3
InChIKeyPEEXTEJSSBPNLX-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.71
Rot. Bonds6

About N-tert-butyl-N,7,7-trimethyloctan-1-amine

N-tert-butyl-N,7,7-trimethyloctan-1-amine (PubChem CID 176737662) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-tert-butyl-N,7,7-trimethyloctan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N,7,7-trimethyloctan-1-amine
PubChem CID176737662
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-tert-butyl-N,7,7-trimethyloctan-1-amine
SMILESCN(CCCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-14(2,3)12-10-8-9-11-13-16(7)15(4,5)6/h8-13H2,1-7H3
InChIKeyPEEXTEJSSBPNLX-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N,7,7-trimethyloctan-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

Related Compounds

5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 164724475
N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 170257114
N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine
CID 154627419
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine
CID 170541802
2,2-dimethylundecane;hydrobromide
CID 172814192
1-bromo-7,7-dimethyloctane
CID 18985391
2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
CID 11470310
azane;2,2-dimethylundecane
CID 172735807
18,18-dimethylnonadecan-1-amine
CID 53249240

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,7,7-trimethyloctan-1-amine?
The IUPAC name of N-tert-butyl-N,7,7-trimethyloctan-1-amine (CID 176737662) is N-tert-butyl-N,7,7-trimethyloctan-1-amine.
What is the SMILES notation for N-tert-butyl-N,7,7-trimethyloctan-1-amine?
The canonical SMILES for N-tert-butyl-N,7,7-trimethyloctan-1-amine is CN(CCCCCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,7,7-trimethyloctan-1-amine?
The InChIKey is PEEXTEJSSBPNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-14(2,3)12-10-8-9-11-13-16(7)15(4,5)6/h8-13H2,1-7H3.
What are the key properties of N-tert-butyl-N,7,7-trimethyloctan-1-amine?
N-tert-butyl-N,7,7-trimethyloctan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,7,7-trimethyloctan-1-amine is sourced from PubChem (CID 176737662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).