(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one

C15H25NO — CID 130310587

IUPAC(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one
SMILESCN[C@H](C(C)=O)C12CCC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-10(17)14(16-2)15-4-3-11-5-12(8-15)7-13(6-11)9-15/h11-14,16H,3-9H2,1-2H3/t11?,12?,13?,14-,15?/m1/s1
InChIKeyXTEFXGPXBZIAEA-WRHSUISWSA-N
MW235.37 g/mol
LogP2.77
Rot. Bonds3

About (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one

(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one (PubChem CID 130310587) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one.

Molecular Properties

Compound Name(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one
PubChem CID130310587
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one
SMILESCN[C@H](C(C)=O)C12CCC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-10(17)14(16-2)15-4-3-11-5-12(8-15)7-13(6-11)9-15/h11-14,16H,3-9H2,1-2H3/t11?,12?,13?,14-,15?/m1/s1
InChIKeyXTEFXGPXBZIAEA-WRHSUISWSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one?
The IUPAC name of (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one (CID 130310587) is (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one.
What is the SMILES notation for (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one?
The canonical SMILES for (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one is CN[C@H](C(C)=O)C12CCC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one?
The InChIKey is XTEFXGPXBZIAEA-WRHSUISWSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(17)14(16-2)15-4-3-11-5-12(8-15)7-13(6-11)9-15/h11-14,16H,3-9H2,1-2H3/t11?,12?,13?,14-,15?/m1/s1.
What are the key properties of (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one?
(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one has a molecular weight of 235.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one is sourced from PubChem (CID 130310587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).