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

C15H33Cl2N3O2 — CID 120564879

IUPAC4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCCCN1CC(C)OC(C)C1.Cl.Cl
InChIInChI=1S/C15H31N3O2.2ClH/c1-12(16)6-7-15(19)17-8-4-5-9-18-10-13(2)20-14(3)11-18;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyFWAZFTXJNOZKDY-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.96
Rot. Bonds8

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

4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride (PubChem CID 120564879) has the molecular formula C15H33Cl2N3O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
PubChem CID120564879
Molecular FormulaC15H33Cl2N3O2
Molecular Weight358.35 g/mol
Exact Mass357.19
IUPAC Name4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCCCN1CC(C)OC(C)C1.Cl.Cl
InChIInChI=1S/C15H31N3O2.2ClH/c1-12(16)6-7-15(19)17-8-4-5-9-18-10-13(2)20-14(3)11-18;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyFWAZFTXJNOZKDY-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.96
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

4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
7-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]heptanamide;dihydrochloride
CID 119840980
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
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
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]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride (CID 120564879) is 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCCCCN1CC(C)OC(C)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride?
The InChIKey is FWAZFTXJNOZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.2ClH/c1-12(16)6-7-15(19)17-8-4-5-9-18-10-13(2)20-14(3)11-18;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride?
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride has a molecular weight of 358.35 g/mol, XLogP of 1.96, 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]pentanamide;dihydrochloride is sourced from PubChem (CID 120564879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).