actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide

C17H33AcN2- — CID 59063066

IUPACactinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide
SMILESC=C(C)N[C@@H]1C[C@H](C)C[C@H]1C([NH-])C(CCC)CCC.[Ac]
InChIInChI=1S/C17H33N2.Ac/c1-6-8-14(9-7-2)17(18)15-10-13(5)11-16(15)19-12(3)4;/h13-19H,3,6-11H2,1-2,4-5H3;/q-1;/t13-,15-,16-,17?;/m1./s1
InChIKeyIZQIFFVRXISCSJ-MOYRRJOHSA-N
MW492.47 g/mol
LogP5.16
Rot. Bonds8

About actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide

actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide (PubChem CID 59063066) has the molecular formula C17H33AcN2- and a molecular weight of 492.47 g/mol. Its IUPAC name is actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide
PubChem CID59063066
Molecular FormulaC17H33AcN2-
Molecular Weight492.47 g/mol
Exact Mass492.29
IUPAC Nameactinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide
SMILESC=C(C)N[C@@H]1C[C@H](C)C[C@H]1C([NH-])C(CCC)CCC.[Ac]
InChIInChI=1S/C17H33N2.Ac/c1-6-8-14(9-7-2)17(18)15-10-13(5)11-16(15)19-12(3)4;/h13-19H,3,6-11H2,1-2,4-5H3;/q-1;/t13-,15-,16-,17?;/m1./s1
InChIKeyIZQIFFVRXISCSJ-MOYRRJOHSA-N
XLogP5.16
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide?
The IUPAC name of actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide (CID 59063066) is actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide.
What is the SMILES notation for actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide?
The canonical SMILES for actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide is C=C(C)N[C@@H]1C[C@H](C)C[C@H]1C([NH-])C(CCC)CCC.[Ac].
What is the InChIKey of actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide?
The InChIKey is IZQIFFVRXISCSJ-MOYRRJOHSA-N. The full InChI is InChI=1S/C17H33N2.Ac/c1-6-8-14(9-7-2)17(18)15-10-13(5)11-16(15)19-12(3)4;/h13-19H,3,6-11H2,1-2,4-5H3;/q-1;/t13-,15-,16-,17?;/m1./s1.
What are the key properties of actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide?
actinium;[1-[(1S,2R,4R)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide has a molecular weight of 492.47 g/mol, XLogP of 5.16, 8 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)-4-methyl-2-(prop-1-en-2-ylamino)cyclopentyl]-2-propylpentyl]azanide is sourced from PubChem (CID 59063066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).