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

C14H29AcN2- — CID 59063084

IUPACactinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide
SMILESCCCC(CCC)C([NH-])[C@@H]1C[C@@H](C)C[C@H]1N.[Ac]
InChIInChI=1S/C14H29N2.Ac/c1-4-6-11(7-5-2)14(16)12-8-10(3)9-13(12)15;/h10-14,16H,4-9,15H2,1-3H3;/q-1;/t10-,12-,13-,14?;/m1./s1
InChIKeyRVACJRKBCICMCM-JORRANJBSA-N
MW452.40 g/mol
LogP4.00
Rot. Bonds6

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

actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide (PubChem CID 59063084) has the molecular formula C14H29AcN2- and a molecular weight of 452.40 g/mol. Its IUPAC name is actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide
PubChem CID59063084
Molecular FormulaC14H29AcN2-
Molecular Weight452.40 g/mol
Exact Mass452.26
IUPAC Nameactinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide
SMILESCCCC(CCC)C([NH-])[C@@H]1C[C@@H](C)C[C@H]1N.[Ac]
InChIInChI=1S/C14H29N2.Ac/c1-4-6-11(7-5-2)14(16)12-8-10(3)9-13(12)15;/h10-14,16H,4-9,15H2,1-3H3;/q-1;/t10-,12-,13-,14?;/m1./s1
InChIKeyRVACJRKBCICMCM-JORRANJBSA-N
XLogP4.00
TPSA49.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 54.00
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-propylpentyl]azanide?
The IUPAC name of actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide (CID 59063084) is actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide.
What is the SMILES notation for actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide?
The canonical SMILES for actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide is CCCC(CCC)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-propylpentyl]azanide?
The InChIKey is RVACJRKBCICMCM-JORRANJBSA-N. The full InChI is InChI=1S/C14H29N2.Ac/c1-4-6-11(7-5-2)14(16)12-8-10(3)9-13(12)15;/h10-14,16H,4-9,15H2,1-3H3;/q-1;/t10-,12-,13-,14?;/m1./s1.
What are the key properties of actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide?
actinium;[1-[(1S,2R,4R)-2-amino-4-methylcyclopentyl]-2-propylpentyl]azanide has a molecular weight of 452.40 g/mol, XLogP of 4.00, 6 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-propylpentyl]azanide is sourced from PubChem (CID 59063084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).