7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride

C15H33Cl2N3O2 — CID 119878453

IUPAC7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
SMILESCC(NC(=O)CCCCCCN)C(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H31N3O2.2ClH/c1-13(14(2)18-9-11-20-12-10-18)17-15(19)7-5-3-4-6-8-16;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyZODQYZVJDZFLFV-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.96
Rot. Bonds9

About 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride

7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride (PubChem CID 119878453) has the molecular formula C15H33Cl2N3O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
PubChem CID119878453
Molecular FormulaC15H33Cl2N3O2
Molecular Weight358.35 g/mol
Exact Mass357.19
IUPAC Name7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
SMILESCC(NC(=O)CCCCCCN)C(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C15H31N3O2.2ClH/c1-13(14(2)18-9-11-20-12-10-18)17-15(19)7-5-3-4-6-8-16;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyZODQYZVJDZFLFV-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide
CID 119878524
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide
CID 95340867
2-amino-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)propanamide
CID 119878462
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
CID 163435862
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride (CID 119878453) is 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride is CC(NC(=O)CCCCCCN)C(C)N1CCOCC1.Cl.Cl.
What is the InChIKey of 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride?
The InChIKey is ZODQYZVJDZFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.2ClH/c1-13(14(2)18-9-11-20-12-10-18)17-15(19)7-5-3-4-6-8-16;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride?
7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride has a molecular weight of 358.35 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride is sourced from PubChem (CID 119878453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).