actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide

C12H25AcN2- — CID 59063042

IUPACactinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C[C@@H](C)C[C@H]1N.[Ac]
InChIInChI=1S/C12H25N2.Ac/c1-4-9(5-2)12(14)10-6-8(3)7-11(10)13;/h8-12,14H,4-7,13H2,1-3H3;/q-1;/t8-,10-,11-,12?;/m1./s1
InChIKeyHEUVTMOGPMHEBC-UEIQDHPVSA-N
MW424.35 g/mol
LogP3.22
Rot. Bonds4

About actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide

actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide (PubChem CID 59063042) has the molecular formula C12H25AcN2- and a molecular weight of 424.35 g/mol. Its IUPAC name is actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide
PubChem CID59063042
Molecular FormulaC12H25AcN2-
Molecular Weight424.35 g/mol
Exact Mass424.23
IUPAC Nameactinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C[C@@H](C)C[C@H]1N.[Ac]
InChIInChI=1S/C12H25N2.Ac/c1-4-9(5-2)12(14)10-6-8(3)7-11(10)13;/h8-12,14H,4-7,13H2,1-3H3;/q-1;/t8-,10-,11-,12?;/m1./s1
InChIKeyHEUVTMOGPMHEBC-UEIQDHPVSA-N
XLogP3.22
TPSA49.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide?
The IUPAC name of actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide (CID 59063042) is actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide.
What is the SMILES notation for actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide?
The canonical SMILES for actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide is CCC(CC)C([NH-])[C@@H]1C[C@@H](C)C[C@H]1N.[Ac].
What is the InChIKey of actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide?
The InChIKey is HEUVTMOGPMHEBC-UEIQDHPVSA-N. The full InChI is InChI=1S/C12H25N2.Ac/c1-4-9(5-2)12(14)10-6-8(3)7-11(10)13;/h8-12,14H,4-7,13H2,1-3H3;/q-1;/t8-,10-,11-,12?;/m1./s1.
What are the key properties of actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide?
actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide has a molecular weight of 424.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-ethylbutyl]azanide is sourced from PubChem (CID 59063042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).