2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one

C14H27N3O — CID 167239769

IUPAC2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one
SMILESCCNC(C)C[C@@H](C)N1CCC2(CNC(=O)C2)C1
InChIInChI=1S/C14H27N3O/c1-4-15-11(2)7-12(3)17-6-5-14(10-17)8-13(18)16-9-14/h11-12,15H,4-10H2,1-3H3,(H,16,18)/t11?,12-,14?/m1/s1
InChIKeySLXHRYKWVMKNIA-MBHSVXNSSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one

2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 167239769) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID167239769
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one
SMILESCCNC(C)C[C@@H](C)N1CCC2(CNC(=O)C2)C1
InChIInChI=1S/C14H27N3O/c1-4-15-11(2)7-12(3)17-6-5-14(10-17)8-13(18)16-9-14/h11-12,15H,4-10H2,1-3H3,(H,16,18)/t11?,12-,14?/m1/s1
InChIKeySLXHRYKWVMKNIA-MBHSVXNSSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one (CID 167239769) is 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one is CCNC(C)C[C@@H](C)N1CCC2(CNC(=O)C2)C1.
What is the InChIKey of 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is SLXHRYKWVMKNIA-MBHSVXNSSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-15-11(2)7-12(3)17-6-5-14(10-17)8-13(18)16-9-14/h11-12,15H,4-10H2,1-3H3,(H,16,18)/t11?,12-,14?/m1/s1.
What are the key properties of 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one?
2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(ethylamino)pentan-2-yl]-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 167239769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).