N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide

C12H25N3O2 — CID 79154886

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCCC(CC)(CN)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-4-12(5-2,10-13)14(3)11(16)15-6-8-17-9-7-15/h4-10,13H2,1-3H3
InChIKeyIURYRJKKUTWYET-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds4

About N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 79154886) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
PubChem CID79154886
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCCC(CC)(CN)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-4-12(5-2,10-13)14(3)11(16)15-6-8-17-9-7-15/h4-10,13H2,1-3H3
InChIKeyIURYRJKKUTWYET-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide (CID 79154886) is N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide is CCC(CC)(CN)N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is IURYRJKKUTWYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-12(5-2,10-13)14(3)11(16)15-6-8-17-9-7-15/h4-10,13H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 79154886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).