2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

C15H27NO2 — CID 116573884

IUPAC2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCC(C)C(CN)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27NO2/c1-11(2)13(10-16)14(17)12-5-8-18-15(9-12)6-3-4-7-15/h11-13H,3-10,16H2,1-2H3
InChIKeyYKDLBKHQNZDHFV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.53
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 116573884) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID116573884
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCC(C)C(CN)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27NO2/c1-11(2)13(10-16)14(17)12-5-8-18-15(9-12)6-3-4-7-15/h11-13H,3-10,16H2,1-2H3
InChIKeyYKDLBKHQNZDHFV-UHFFFAOYSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-one
CID 116597911
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (CID 116573884) is 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is CC(C)C(CN)C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is YKDLBKHQNZDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)13(10-16)14(17)12-5-8-18-15(9-12)6-3-4-7-15/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 116573884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).