actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide

C15H27AcN2- — CID 59063062

IUPACactinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide
SMILESC=C(C)N[C@@H]1CC(C)=C[C@H]1C([NH-])C(CC)CC.[Ac]
InChIInChI=1S/C15H27N2.Ac/c1-6-12(7-2)15(16)13-8-11(5)9-14(13)17-10(3)4;/h8,12-17H,3,6-7,9H2,1-2,4-5H3;/q-1;/t13-,14-,15?;/m1./s1
InChIKeyDTYSWUMAEWEUDP-XBBYMFKQSA-N
MW462.40 g/mol
LogP4.30
Rot. Bonds6

About actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide

actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide (PubChem CID 59063062) has the molecular formula C15H27AcN2- and a molecular weight of 462.40 g/mol. Its IUPAC name is actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide.

Molecular Properties

Compound Nameactinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide
PubChem CID59063062
Molecular FormulaC15H27AcN2-
Molecular Weight462.40 g/mol
Exact Mass462.25
IUPAC Nameactinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide
SMILESC=C(C)N[C@@H]1CC(C)=C[C@H]1C([NH-])C(CC)CC.[Ac]
InChIInChI=1S/C15H27N2.Ac/c1-6-12(7-2)15(16)13-8-11(5)9-14(13)17-10(3)4;/h8,12-17H,3,6-7,9H2,1-2,4-5H3;/q-1;/t13-,14-,15?;/m1./s1
InChIKeyDTYSWUMAEWEUDP-XBBYMFKQSA-N
XLogP4.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide?
The IUPAC name of actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide (CID 59063062) is actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide.
What is the SMILES notation for actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide?
The canonical SMILES for actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide is C=C(C)N[C@@H]1CC(C)=C[C@H]1C([NH-])C(CC)CC.[Ac].
What is the InChIKey of actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide?
The InChIKey is DTYSWUMAEWEUDP-XBBYMFKQSA-N. The full InChI is InChI=1S/C15H27N2.Ac/c1-6-12(7-2)15(16)13-8-11(5)9-14(13)17-10(3)4;/h8,12-17H,3,6-7,9H2,1-2,4-5H3;/q-1;/t13-,14-,15?;/m1./s1.
What are the key properties of actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide?
actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide has a molecular weight of 462.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[2-ethyl-1-[(1S,5R)-3-methyl-5-(prop-1-en-2-ylamino)cyclopent-2-en-1-yl]butyl]azanide is sourced from PubChem (CID 59063062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).