N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine

C12H27NO — CID 176560194

IUPACN-butyl-1-ethoxy-N,2-dimethylbutan-2-amine
SMILESCCCCN(C)C(C)(CC)COCC
InChIInChI=1S/C12H27NO/c1-6-9-10-13(5)12(4,7-2)11-14-8-3/h6-11H2,1-5H3
InChIKeyFSHTWBHBHUGOPS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.92
Rot. Bonds8

About N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine

N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine (PubChem CID 176560194) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-butyl-1-ethoxy-N,2-dimethylbutan-2-amine
PubChem CID176560194
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-butyl-1-ethoxy-N,2-dimethylbutan-2-amine
SMILESCCCCN(C)C(C)(CC)COCC
InChIInChI=1S/C12H27NO/c1-6-9-10-13(5)12(4,7-2)11-14-8-3/h6-11H2,1-5H3
InChIKeyFSHTWBHBHUGOPS-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-1-ethoxy-N,2-dimethylbutan-2-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-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
azane;1-ethoxy-2,2-dimethyldecane
CID 175176661
1,3-diethoxy-2,2-bis(ethoxymethyl)propane;tetrakis(N,N-dimethylmethanamine);tetrahydroiodide
CID 173321778
N-ethyl-N,3-dimethylheptan-3-amine
CID 123202757
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine?
The IUPAC name of N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine (CID 176560194) is N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine is CCCCN(C)C(C)(CC)COCC.
What is the InChIKey of N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine?
The InChIKey is FSHTWBHBHUGOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-9-10-13(5)12(4,7-2)11-14-8-3/h6-11H2,1-5H3.
What are the key properties of N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine?
N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 176560194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).