N-(2-aminopropyl)oxane-4-carboxamide

C9H18N2O2 — CID 15035314

IUPACN-(2-aminopropyl)oxane-4-carboxamide
SMILESCC(N)CNC(=O)C1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(10)6-11-9(12)8-2-4-13-5-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyNUHCWJAHTIVZBJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds3

About N-(2-aminopropyl)oxane-4-carboxamide

N-(2-aminopropyl)oxane-4-carboxamide (PubChem CID 15035314) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-aminopropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)oxane-4-carboxamide
PubChem CID15035314
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-aminopropyl)oxane-4-carboxamide
SMILESCC(N)CNC(=O)C1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(10)6-11-9(12)8-2-4-13-5-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyNUHCWJAHTIVZBJ-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]oxane-4-carboxamide;hydrochloride
CID 120650436
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)oxane-4-carboxamide?
The IUPAC name of N-(2-aminopropyl)oxane-4-carboxamide (CID 15035314) is N-(2-aminopropyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-aminopropyl)oxane-4-carboxamide is CC(N)CNC(=O)C1CCOCC1.
What is the InChIKey of N-(2-aminopropyl)oxane-4-carboxamide?
The InChIKey is NUHCWJAHTIVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(10)6-11-9(12)8-2-4-13-5-3-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminopropyl)oxane-4-carboxamide?
N-(2-aminopropyl)oxane-4-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)oxane-4-carboxamide is sourced from PubChem (CID 15035314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).