N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine

C14H31NO — CID 123373731

IUPACN,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine
SMILESCCN(CC)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C14H31NO/c1-7-15(8-2)11-10-14(5,6)16-12-9-13(3)4/h13H,7-12H2,1-6H3
InChIKeyOYILHVTUUGZWRL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.56
Rot. Bonds9

About N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine

N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine (PubChem CID 123373731) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine
PubChem CID123373731
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine
SMILESCCN(CC)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C14H31NO/c1-7-15(8-2)11-10-14(5,6)16-12-9-13(3)4/h13H,7-12H2,1-6H3
InChIKeyOYILHVTUUGZWRL-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-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

3-(N,N-diethylaminomethyl)tetrahydrofuran
CID 14323080
N,N-Dimethyl-3-tert-butoxypropylamine
CID 547395
(3S,4S)-3-fluoro-4-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 159687075
3-methoxy-N,N,2,3-tetramethylbutan-1-amine
CID 54299795
(3S)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134200
(3S)-1-methyl-3-(propoxymethyl)pyrrolidine
CID 58134224
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
(3R)-1-methyl-3-(propoxymethyl)pyrrolidine
CID 58134392
1-Methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 58142701
3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine
CID 58574426
3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine
CID 58914692
N,3-dimethyl-N-[3-(2-methylpropoxy)propyl]butan-1-amine
CID 58965004

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine?
The IUPAC name of N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine (CID 123373731) is N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine.
What is the SMILES notation for N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine?
The canonical SMILES for N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine is CCN(CC)CCC(C)(C)OCCC(C)C.
What is the InChIKey of N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine?
The InChIKey is OYILHVTUUGZWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-15(8-2)11-10-14(5,6)16-12-9-13(3)4/h13H,7-12H2,1-6H3.
What are the key properties of N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine?
N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-3-(3-methylbutoxy)butan-1-amine is sourced from PubChem (CID 123373731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).