4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride

C14H31Cl2N3O2 — CID 119858913

IUPAC4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
SMILESCC1CN(CCCCNC(=O)CCCN)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-12-10-17(11-13(2)19-12)9-4-3-8-16-14(18)6-5-7-15;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeyUIOOBOHMDXENAO-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.57
Rot. Bonds8

About 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride

4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride (PubChem CID 119858913) has the molecular formula C14H31Cl2N3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
PubChem CID119858913
Molecular FormulaC14H31Cl2N3O2
Molecular Weight344.33 g/mol
Exact Mass343.18
IUPAC Name4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
SMILESCC1CN(CCCCNC(=O)CCCN)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-12-10-17(11-13(2)19-12)9-4-3-8-16-14(18)6-5-7-15;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeyUIOOBOHMDXENAO-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]heptanamide;dihydrochloride
CID 119840980
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
CID 120564879
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119851231
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride (CID 119858913) is 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride is CC1CN(CCCCNC(=O)CCCN)CC(C)O1.Cl.Cl.
What is the InChIKey of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride?
The InChIKey is UIOOBOHMDXENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.2ClH/c1-12-10-17(11-13(2)19-12)9-4-3-8-16-14(18)6-5-7-15;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride?
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride is sourced from PubChem (CID 119858913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).