N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium

C19H27NRu-6 — CID 87366312

IUPACN-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium
SMILESCC(NCC1CCCCC1)[c-]1cccc1.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H22N.C5H5.Ru/c1-12(14-9-5-6-10-14)15-11-13-7-3-2-4-8-13;1-2-4-5-3-1;/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3;1-5H;/q-1;-5;
InChIKeyMWDOBJGVOBIUNR-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.04
Rot. Bonds4

About N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium

N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium (PubChem CID 87366312) has the molecular formula C19H27NRu-6 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium
PubChem CID87366312
Molecular FormulaC19H27NRu-6
Molecular Weight370.50 g/mol
Exact Mass371.12
IUPAC NameN-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium
SMILESCC(NCC1CCCCC1)[c-]1cccc1.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H22N.C5H5.Ru/c1-12(14-9-5-6-10-14)15-11-13-7-3-2-4-8-13;1-2-4-5-3-1;/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3;1-5H;/q-1;-5;
InChIKeyMWDOBJGVOBIUNR-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium?
The IUPAC name of N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium (CID 87366312) is N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium.
What is the SMILES notation for N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium?
The canonical SMILES for N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium is CC(NCC1CCCCC1)[c-]1cccc1.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium?
The InChIKey is MWDOBJGVOBIUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N.C5H5.Ru/c1-12(14-9-5-6-10-14)15-11-13-7-3-2-4-8-13;1-2-4-5-3-1;/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3;1-5H;/q-1;-5;.
What are the key properties of N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium?
N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium has a molecular weight of 370.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-cyclopenta-2,4-dien-1-ylethanamine;cyclopentane;ruthenium is sourced from PubChem (CID 87366312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).