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

C13H24N2O2 — CID 63258152

IUPACN-(2-aminocycloheptyl)oxane-4-carboxamide
SMILESNC1CCCCCC1NC(=O)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c14-11-4-2-1-3-5-12(11)15-13(16)10-6-8-17-9-7-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyVLHYKTBCRDOOKP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds2

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

N-(2-aminocycloheptyl)oxane-4-carboxamide (PubChem CID 63258152) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)oxane-4-carboxamide
PubChem CID63258152
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-aminocycloheptyl)oxane-4-carboxamide
SMILESNC1CCCCCC1NC(=O)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c14-11-4-2-1-3-5-12(11)15-13(16)10-6-8-17-9-7-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyVLHYKTBCRDOOKP-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
CID 104856246
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
CID 63257894
N-(2-aminocyclopentyl)oxane-2-carboxamide
CID 63251301
N-(4-aminooxolan-3-yl)cyclobutanecarboxamide
CID 127002120
N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
CID 106366913
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
CID 103805817
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)oxane-4-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)oxane-4-carboxamide (CID 63258152) is N-(2-aminocycloheptyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)oxane-4-carboxamide is NC1CCCCCC1NC(=O)C1CCOCC1.
What is the InChIKey of N-(2-aminocycloheptyl)oxane-4-carboxamide?
The InChIKey is VLHYKTBCRDOOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-11-4-2-1-3-5-12(11)15-13(16)10-6-8-17-9-7-10/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of N-(2-aminocycloheptyl)oxane-4-carboxamide?
N-(2-aminocycloheptyl)oxane-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)oxane-4-carboxamide is sourced from PubChem (CID 63258152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).