4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide

C14H25N3O3 — CID 104678604

IUPAC4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
SMILESNCC1(CC(=O)N2CCOCC2C(N)=O)CCCCC1
InChIInChI=1S/C14H25N3O3/c15-10-14(4-2-1-3-5-14)8-12(18)17-6-7-20-9-11(17)13(16)19/h11H,1-10,15H2,(H2,16,19)
InChIKeyJFKWSBIIHTUUPG-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.00
Rot. Bonds4

About 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide

4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide (PubChem CID 104678604) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
PubChem CID104678604
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
SMILESNCC1(CC(=O)N2CCOCC2C(N)=O)CCCCC1
InChIInChI=1S/C14H25N3O3/c15-10-14(4-2-1-3-5-14)8-12(18)17-6-7-20-9-11(17)13(16)19/h11H,1-10,15H2,(H2,16,19)
InChIKeyJFKWSBIIHTUUPG-UHFFFAOYSA-N
XLogP-0.00
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide (CID 104678604) is 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide is NCC1(CC(=O)N2CCOCC2C(N)=O)CCCCC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide?
The InChIKey is JFKWSBIIHTUUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-10-14(4-2-1-3-5-14)8-12(18)17-6-7-20-9-11(17)13(16)19/h11H,1-10,15H2,(H2,16,19).
What are the key properties of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide?
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide is sourced from PubChem (CID 104678604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).