actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide

C12H25AcN2O- — CID 59063022

IUPACactinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1[C@H](O)[C@@H](C)C[C@H]1N.[Ac]
InChIInChI=1S/C12H25N2O.Ac/c1-4-8(5-2)11(14)10-9(13)6-7(3)12(10)15;/h7-12,14-15H,4-6,13H2,1-3H3;/q-1;/t7-,9+,10+,11?,12+;/m0./s1
InChIKeyRRWJQSBRHPNHBG-FXVFFBMZSA-N
MW440.35 g/mol
LogP2.19
Rot. Bonds4

About actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide

actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide (PubChem CID 59063022) has the molecular formula C12H25AcN2O- and a molecular weight of 440.35 g/mol. Its IUPAC name is actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide
PubChem CID59063022
Molecular FormulaC12H25AcN2O-
Molecular Weight440.35 g/mol
Exact Mass440.22
IUPAC Nameactinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1[C@H](O)[C@@H](C)C[C@H]1N.[Ac]
InChIInChI=1S/C12H25N2O.Ac/c1-4-8(5-2)11(14)10-9(13)6-7(3)12(10)15;/h7-12,14-15H,4-6,13H2,1-3H3;/q-1;/t7-,9+,10+,11?,12+;/m0./s1
InChIKeyRRWJQSBRHPNHBG-FXVFFBMZSA-N
XLogP2.19
TPSA70.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide?
The IUPAC name of actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide (CID 59063022) is actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide.
What is the SMILES notation for actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide?
The canonical SMILES for actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide is CCC(CC)C([NH-])[C@@H]1[C@H](O)[C@@H](C)C[C@H]1N.[Ac].
What is the InChIKey of actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide?
The InChIKey is RRWJQSBRHPNHBG-FXVFFBMZSA-N. The full InChI is InChI=1S/C12H25N2O.Ac/c1-4-8(5-2)11(14)10-9(13)6-7(3)12(10)15;/h7-12,14-15H,4-6,13H2,1-3H3;/q-1;/t7-,9+,10+,11?,12+;/m0./s1.
What are the key properties of actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide?
actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide has a molecular weight of 440.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[1-[(1S,2R,3S,5R)-5-amino-2-hydroxy-3-methylcyclopentyl]-2-ethylbutyl]azanide is sourced from PubChem (CID 59063022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).