4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide

C15H29N3O2 — CID 115294618

IUPAC4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(N)CCOCC1)N1CCCC1
InChIInChI=1S/C15H29N3O2/c1-12(2)13(18-7-3-4-8-18)11-17-14(19)15(16)5-9-20-10-6-15/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyUYHLWBLGGKLRIP-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.73
Rot. Bonds5

About 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide

4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide (PubChem CID 115294618) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
PubChem CID115294618
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(N)CCOCC1)N1CCCC1
InChIInChI=1S/C15H29N3O2/c1-12(2)13(18-7-3-4-8-18)11-17-14(19)15(16)5-9-20-10-6-15/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyUYHLWBLGGKLRIP-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115294865
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
CID 115448375
1-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 119841656
1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849849
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
CID 46978034
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide (CID 115294618) is 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide is CC(C)C(CNC(=O)C1(N)CCOCC1)N1CCCC1.
What is the InChIKey of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide?
The InChIKey is UYHLWBLGGKLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)13(18-7-3-4-8-18)11-17-14(19)15(16)5-9-20-10-6-15/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide?
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 115294618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).