4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide

C13H27N3O2 — CID 114398814

IUPAC4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN1CCOC(CN)C1
InChIInChI=1S/C13H27N3O2/c1-3-16(4-2)13(17)6-5-7-15-8-9-18-12(10-14)11-15/h12H,3-11,14H2,1-2H3
InChIKeyKATIGVSHHGSJSC-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds7

About 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide

4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide (PubChem CID 114398814) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
PubChem CID114398814
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN1CCOC(CN)C1
InChIInChI=1S/C13H27N3O2/c1-3-16(4-2)13(17)6-5-7-15-8-9-18-12(10-14)11-15/h12H,3-11,14H2,1-2H3
InChIKeyKATIGVSHHGSJSC-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide
CID 115302442
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168
4-(4-amino-3-ethylpiperidin-1-yl)-N,N-diethylbutanamide
CID 81458870
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate
CID 59448013
6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
CID 106713456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide?
The IUPAC name of 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide (CID 114398814) is 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide?
The canonical SMILES for 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCN1CCOC(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide?
The InChIKey is KATIGVSHHGSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-16(4-2)13(17)6-5-7-15-8-9-18-12(10-14)11-15/h12H,3-11,14H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide?
4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide is sourced from PubChem (CID 114398814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).