N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine

C16H34N2O — CID 170952081

IUPACN-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
SMILESCCCCN1CCOC(CCN(C)CC(C)CC)C1
InChIInChI=1S/C16H34N2O/c1-5-7-9-18-11-12-19-16(14-18)8-10-17(4)13-15(3)6-2/h15-16H,5-14H2,1-4H3
InChIKeyZXSTZSAAHXJSQZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.86
Rot. Bonds9

About N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine

N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine (PubChem CID 170952081) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
PubChem CID170952081
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
SMILESCCCCN1CCOC(CCN(C)CC(C)CC)C1
InChIInChI=1S/C16H34N2O/c1-5-7-9-18-11-12-19-16(14-18)8-10-17(4)13-15(3)6-2/h15-16H,5-14H2,1-4H3
InChIKeyZXSTZSAAHXJSQZ-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
CID 170115847
N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
CID 138727292
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide
CID 155750800
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
(2S)-2-butyl-4-decylmorpholine
CID 98152093
N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 164568142
N-[2-[2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 155750922
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
N-[2-[(2R)-2-[2-(ethylamino)ethyl]morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 167191852
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486
N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane
CID 178004297

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine (CID 170952081) is N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine is CCCCN1CCOC(CCN(C)CC(C)CC)C1.
What is the InChIKey of N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine?
The InChIKey is ZXSTZSAAHXJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-9-18-11-12-19-16(14-18)8-10-17(4)13-15(3)6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine?
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 170952081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).