4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide

C11H23N3O2 — CID 83106233

IUPAC4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
SMILESCCC(CCN)N1CCOCC1C(=O)NC
InChIInChI=1S/C11H23N3O2/c1-3-9(4-5-12)14-6-7-16-8-10(14)11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyJCGIJINFBQENLC-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds5

About 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide

4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83106233) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83106233
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
SMILESCCC(CCN)N1CCOCC1C(=O)NC
InChIInChI=1S/C11H23N3O2/c1-3-9(4-5-12)14-6-7-16-8-10(14)11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyJCGIJINFBQENLC-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83107069
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83099710
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83099471
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83097793
4-[2-(2-aminoethoxy)ethyl]-N-methylmorpholine-3-carboxamide
CID 103482268
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide (CID 83106233) is 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide is CCC(CCN)N1CCOCC1C(=O)NC.
What is the InChIKey of 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is JCGIJINFBQENLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9(4-5-12)14-6-7-16-8-10(14)11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide?
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).