2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide

C14H26N2O — CID 106276191

IUPAC2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide
SMILESCC(C)(CNC1CCC12CCCCC2)C(N)=O
InChIInChI=1S/C14H26N2O/c1-13(2,12(15)17)10-16-11-6-9-14(11)7-4-3-5-8-14/h11,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyFYCCXLULAGBUNG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds4

About 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide

2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide (PubChem CID 106276191) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide
PubChem CID106276191
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide
SMILESCC(C)(CNC1CCC12CCCCC2)C(N)=O
InChIInChI=1S/C14H26N2O/c1-13(2,12(15)17)10-16-11-6-9-14(11)7-4-3-5-8-14/h11,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyFYCCXLULAGBUNG-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide (CID 106276191) is 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide is CC(C)(CNC1CCC12CCCCC2)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide?
The InChIKey is FYCCXLULAGBUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2,12(15)17)10-16-11-6-9-14(11)7-4-3-5-8-14/h11,16H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide?
2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide is sourced from PubChem (CID 106276191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).