N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide

C16H30N2O2 — CID 115731804

IUPACN-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide
SMILESCC(NC1CCOC2(CCCC2)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-12(14(19)18-15(2,3)4)17-13-7-10-20-16(11-13)8-5-6-9-16/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyIQDHKRGAXIHMHG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.37
Rot. Bonds3

About N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide

N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide (PubChem CID 115731804) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide
PubChem CID115731804
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide
SMILESCC(NC1CCOC2(CCCC2)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-12(14(19)18-15(2,3)4)17-13-7-10-20-16(11-13)8-5-6-9-16/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyIQDHKRGAXIHMHG-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79895294
N,N-dimethyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79894932
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide (CID 115731804) is N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide is CC(NC1CCOC2(CCCC2)C1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide?
The InChIKey is IQDHKRGAXIHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(14(19)18-15(2,3)4)17-13-7-10-20-16(11-13)8-5-6-9-16/h12-13,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide?
N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide is sourced from PubChem (CID 115731804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).