2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride

C12H27Cl2N3O2 — CID 43810708

IUPAC2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)NCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyLLIHJRRZJDEKLB-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.65
Rot. Bonds6

About 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride

2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride (PubChem CID 43810708) has the molecular formula C12H27Cl2N3O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride
PubChem CID43810708
Molecular FormulaC12H27Cl2N3O2
Molecular Weight316.27 g/mol
Exact Mass315.15
IUPAC Name2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)NCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyLLIHJRRZJDEKLB-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride (CID 43810708) is 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride is CCC(C)C(N)C(=O)NCCN1CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride?
The InChIKey is LLIHJRRZJDEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride?
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride has a molecular weight of 316.27 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride is sourced from PubChem (CID 43810708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).