3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H31N3O2 — CID 119841278

IUPAC3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)C(CNC(=O)C1C2CCC(C2)C1N)N1CCOCC1
InChIInChI=1S/C17H31N3O2/c1-11(2)14(20-5-7-22-8-6-20)10-19-17(21)15-12-3-4-13(9-12)16(15)18/h11-16H,3-10,18H2,1-2H3,(H,19,21)
InChIKeyGEWBNZOMNWMAIU-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.83
Rot. Bonds5

About 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119841278) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119841278
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)C(CNC(=O)C1C2CCC(C2)C1N)N1CCOCC1
InChIInChI=1S/C17H31N3O2/c1-11(2)14(20-5-7-22-8-6-20)10-19-17(21)15-12-3-4-13(9-12)16(15)18/h11-16H,3-10,18H2,1-2H3,(H,19,21)
InChIKeyGEWBNZOMNWMAIU-UHFFFAOYSA-N
XLogP0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859900
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830190
N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
CID 119841324
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 52608858
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
N-(3-methyl-2-morpholin-4-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55526700
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119896456
2-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]carbamoylamino]propanediamide
CID 94187394
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119804174
3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119820248
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119841278) is 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)C(CNC(=O)C1C2CCC(C2)C1N)N1CCOCC1.
What is the InChIKey of 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GEWBNZOMNWMAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-11(2)14(20-5-7-22-8-6-20)10-19-17(21)15-12-3-4-13(9-12)16(15)18/h11-16H,3-10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119841278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).