2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine

C13H29NO — CID 103036795

IUPAC2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine
SMILESCCC(CC)(CCC(C)(C)OC)CNC
InChIInChI=1S/C13H29NO/c1-7-13(8-2,11-14-5)10-9-12(3,4)15-6/h14H,7-11H2,1-6H3
InChIKeyAPOLVFBHBKELJX-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds8

About 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine

2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine (PubChem CID 103036795) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine
PubChem CID103036795
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine
SMILESCCC(CC)(CCC(C)(C)OC)CNC
InChIInChI=1S/C13H29NO/c1-7-13(8-2,11-14-5)10-9-12(3,4)15-6/h14H,7-11H2,1-6H3
InChIKeyAPOLVFBHBKELJX-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-5-methoxy-N,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

Related Compounds

2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036101
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
CID 103019881
2-ethyl-N-methyl-2-prop-2-enylpent-4-en-1-amine
CID 153496766
N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
CID 63507085

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine?
The IUPAC name of 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine (CID 103036795) is 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine?
The canonical SMILES for 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine is CCC(CC)(CCC(C)(C)OC)CNC.
What is the InChIKey of 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine?
The InChIKey is APOLVFBHBKELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-13(8-2,11-14-5)10-9-12(3,4)15-6/h14H,7-11H2,1-6H3.
What are the key properties of 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine?
2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 103036795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).