3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C13H25N3O2 — CID 62807667

IUPAC3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(C)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C13H25N3O2/c1-9(12(17)15-2)16-13(18)11-5-3-4-10(8-11)6-7-14/h9-11H,3-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUGSMGNNCPDWVGX-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.39
Rot. Bonds5

About 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 62807667) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID62807667
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(C)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C13H25N3O2/c1-9(12(17)15-2)16-13(18)11-5-3-4-10(8-11)6-7-14/h9-11H,3-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUGSMGNNCPDWVGX-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 62807667) is 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is CNC(=O)C(C)NC(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is UGSMGNNCPDWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(12(17)15-2)16-13(18)11-5-3-4-10(8-11)6-7-14/h9-11H,3-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62807667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).