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

C14H27N3O2 — CID 115294865

IUPAC4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
SMILESCC(CNC(=O)C1(N)CCOCC1)CN1CCCC1
InChIInChI=1S/C14H27N3O2/c1-12(11-17-6-2-3-7-17)10-16-13(18)14(15)4-8-19-9-5-14/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyNKDSFZAVTHTABL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.34
Rot. Bonds5

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

4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide (PubChem CID 115294865) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
PubChem CID115294865
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
SMILESCC(CNC(=O)C1(N)CCOCC1)CN1CCCC1
InChIInChI=1S/C14H27N3O2/c1-12(11-17-6-2-3-7-17)10-16-13(18)14(15)4-8-19-9-5-14/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyNKDSFZAVTHTABL-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
CID 115294618
1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 80591028
1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119902544
1-carbamothioyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80591203
1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80596756
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 80593325
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
CID 64892611

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide (CID 115294865) is 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide is CC(CNC(=O)C1(N)CCOCC1)CN1CCCC1.
What is the InChIKey of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
The InChIKey is NKDSFZAVTHTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(11-17-6-2-3-7-17)10-16-13(18)14(15)4-8-19-9-5-14/h12H,2-11,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 115294865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).