2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine

C16H35NO — CID 103036788

IUPAC2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine
SMILESCCCCC(CC)(CCC(C)(C)OC)CNCC
InChIInChI=1S/C16H35NO/c1-7-10-11-16(8-2,14-17-9-3)13-12-15(4,5)18-6/h17H,7-14H2,1-6H3
InChIKeyFODCRLVLPXMITE-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.39
Rot. Bonds11

About 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine

2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine (PubChem CID 103036788) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine
PubChem CID103036788
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine
SMILESCCCCC(CC)(CCC(C)(C)OC)CNCC
InChIInChI=1S/C16H35NO/c1-7-10-11-16(8-2,14-17-9-3)13-12-15(4,5)18-6/h17H,7-14H2,1-6H3
InChIKeyFODCRLVLPXMITE-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-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 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine?
The IUPAC name of 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine (CID 103036788) is 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine.
What is the SMILES notation for 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine?
The canonical SMILES for 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine is CCCCC(CC)(CCC(C)(C)OC)CNCC.
What is the InChIKey of 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine?
The InChIKey is FODCRLVLPXMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-7-10-11-16(8-2,14-17-9-3)13-12-15(4,5)18-6/h17H,7-14H2,1-6H3.
What are the key properties of 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine?
2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,2-diethyl-5-methoxy-5-methylhexan-1-amine is sourced from PubChem (CID 103036788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).