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

C12H25N3O2 — CID 83106656

IUPAC4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(CC)CCN
InChIInChI=1S/C12H25N3O2/c1-3-10(5-6-13)15-7-8-17-9-11(15)12(16)14-4-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyCWXQEQHCIUDJGF-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds6

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

4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83106656) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
PubChem CID83106656
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(CC)CCN
InChIInChI=1S/C12H25N3O2/c1-3-10(5-6-13)15-7-8-17-9-11(15)12(16)14-4-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyCWXQEQHCIUDJGF-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106921
4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83099471
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-N-ethylmorpholine-3-carboxamide
CID 83106718
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide (CID 83106656) is 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(CC)CCN.
What is the InChIKey of 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is CWXQEQHCIUDJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(5-6-13)15-7-8-17-9-11(15)12(16)14-4-2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide?
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 6 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-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83106656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).