2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide

C12H20ClN2Ru — CID 86574471

IUPAC2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide
SMILESCc1[c-]cc(C(C)C)cc1.Cl[Ru+2].[NH-]CCN
InChIInChI=1S/C10H13.C2H7N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;;/h4,6-8H,1-3H3;3H,1-2,4H2;1H;/q2*-1;;+3/p-1
InChIKeyXAPFEBHPRHPOJL-UHFFFAOYSA-M
MW328.83 g/mol
LogP3.60
Rot. Bonds2

About 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide

2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide (PubChem CID 86574471) has the molecular formula C12H20ClN2Ru and a molecular weight of 328.83 g/mol. Its IUPAC name is 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide.

Molecular Properties

Compound Name2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide
PubChem CID86574471
Molecular FormulaC12H20ClN2Ru
Molecular Weight328.83 g/mol
Exact Mass329.04
IUPAC Name2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide
SMILESCc1[c-]cc(C(C)C)cc1.Cl[Ru+2].[NH-]CCN
InChIInChI=1S/C10H13.C2H7N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;;/h4,6-8H,1-3H3;3H,1-2,4H2;1H;/q2*-1;;+3/p-1
InChIKeyXAPFEBHPRHPOJL-UHFFFAOYSA-M
XLogP3.60
TPSA49.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 53.60
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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Related Compounds

2-Aminopropylazanide; chlororuthenium(2+); 1-isopropyl-4-methyl-benzene-5-ide
CID 86574473
Chlororuthenium(2+); 1-isopropyl-4-methyl-benzene-5-ide; methyl-[2-(methylamino)ethyl]azanide
CID 86574474
(4-Prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine
CID 70312074
(3Z)-2-ethyl-5-methylhexa-3,5-dien-1-amine
CID 88588533
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 89017285
(4-Methylcyclohexa-2,4-dien-1-yl)methanamine
CID 89097611
2-(4-Methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 89113443
(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine
CID 89150495
(4-Propylcyclohexa-2,4-dien-1-yl)methanamine
CID 89176438
(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
CID 89377891
(4Z)-3,6-dimethylhepta-4,6-dien-1-amine
CID 89418750

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
The IUPAC name of 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide (CID 86574471) is 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide.
What is the SMILES notation for 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
The canonical SMILES for 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide is Cc1[c-]cc(C(C)C)cc1.Cl[Ru+2].[NH-]CCN.
What is the InChIKey of 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
The InChIKey is XAPFEBHPRHPOJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.C2H7N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;;/h4,6-8H,1-3H3;3H,1-2,4H2;1H;/q2*-1;;+3/p-1.
What are the key properties of 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide?
2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide has a molecular weight of 328.83 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylazanide;chlororuthenium(2+);1-methyl-4-propan-2-ylbenzene-6-ide is sourced from PubChem (CID 86574471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).